 Home > Encyclopedia > 5-benzylsulfanyl-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-benzylsulfanyl-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-benzylsulfanyl-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:
841210-10-4
Formula:
C21H23N3O2S
Chemical Name:
5-benzylsulfanyl-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:
ZINC2397131;STK555523;AKOS005483272;MCULE-9385380720;2-(benzylsulfanyl)-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one;841210-10-4

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5-benzylsulfanyl-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：

381.5 g/mol

Exact Mass：

381.15109816 g/mol

Characteristics

PSA：

80.1 Å²

Computed Properties

Molecular Weight:381.5
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:381.15109816
Monoisotopic Mass:381.15109816
Topological Polar Surface Area:80.1
Heavy Atom Count:27
Complexity:588
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzylsulfanyl-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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