 Home > Encyclopedia > 5-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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:
587001-13-6
Formula:
C21H21Cl2N3O2S
Chemical Name:
5-[(2,4-dichlorophenyl)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:
ZINC2397630;STK558641;AKOS005484603;MCULE-6581332513;2-[(2,4-dichlorobenzyl)sulfanyl]-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one;587001-13-6

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5-[(2,4-dichlorophenyl)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：

450.4 g/mol

Exact Mass：

449.0731535 g/mol

Characteristics

PSA：

80.1 Å²

Computed Properties

Molecular Weight:450.4
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:449.0731535
Monoisotopic Mass:449.0731535
Topological Polar Surface Area:80.1
Heavy Atom Count:29
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(2,4-dichlorophenyl)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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