 Home > Encyclopedia > 5-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one

5-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one

5-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one structure

CAS No:
840511-66-2
Formula:
C21H22ClN3O2S
Chemical Name:
5-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Synonyms:
ZINC2265710;STK555209;AKOS005481721;MCULE-9254366240;2-((4-chlorobenzyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one;2-[(4-chlorobenzyl)sulfanyl]-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one;840511-66-2

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5-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one Basic Attributes

Molecular Weight：

415.9 g/mol

Exact Mass：

415.1121258 g/mol

Characteristics

PSA：

80.1 Å²

Computed Properties

Molecular Weight:415.9
XLogP3:3.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:415.1121258
Monoisotopic Mass:415.1121258
Topological Polar Surface Area:80.1
Heavy Atom Count:28
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one

Basic Attributes
Characteristics
Computed Properties

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