 Home > Encyclopedia > 8-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one

8-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one

8-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one structure

CAS No:
782465-85-4
Formula:
C24H22N4O4S
Chemical Name:
8-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one
Synonyms:
MLS002156135;SMR001238644;CHEMBL1356184;BDBM76241;cid_2090567;HMS3053F05;ZINC2628213;AKOS033633295;MCULE-6321681597;Z18614743;5-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-2-phenyl-8,9,10,11-tetrahydro-7H-pyrazolo[1,2]pyrimid[3,5-a]azepin-1-one;5-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-phenyl-8,9,10,11-tetrahydro-7H-pyrazolo[1,2]pyrimido[3,5-a]azepin-1-one;5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-phenyl-8,9,10,11-tetrahydro-7H-pyrazolo[1,2]pyrimido[3,5-a]azepin-1-one;5-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-8,9,10,11-tetrahydro-7H-pyrazolo[1,2]pyrimido[3,5-a]azepin-1-one;782465-85-4;8-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4,5,7,9-tetraazatricyclo[7.5.0.0^{2,6}]tetradeca-1,5,7-trien-3-one

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8-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one Basic Attributes

Molecular Weight：

462.5 g/mol

Exact Mass：

462.13617637 g/mol

Characteristics

PSA：

131 Å²

Computed Properties

Molecular Weight:462.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:462.13617637
Monoisotopic Mass:462.13617637
Topological Polar Surface Area:131
Heavy Atom Count:33
Complexity:895
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: ethyl acetoacetate; phosphorus trichloride; nitrohydrochloric acid; ambroxol; natrium pentothal; periodic table potassium

Guide of 8-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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