 Home > Encyclopedia > 12-(2-hydroxy-5-methylbenzoyl)-4,5-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carbonitrile

12-(2-hydroxy-5-methylbenzoyl)-4,5-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carbonitrile

12-(2-hydroxy-5-methylbenzoyl)-4,5-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carbonitrile structure

CAS No:
736949-67-0
Formula:
C21H15N3O3S
Chemical Name:
12-(2-hydroxy-5-methylbenzoyl)-4,5-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carbonitrile
Synonyms:
ZINC3305569;AKOS034468475;MCULE-3986625996;AB00722788-01;SR-01000049711;SR-01000049711-1;Z56963504;12-(2-hydroxy-5-methylbenzoyl)-4,5-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-10-carbonitrile;736949-67-0

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12-(2-hydroxy-5-methylbenzoyl)-4,5-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carbonitrile Basic Attributes

Molecular Weight：

389.4 g/mol

Exact Mass：

389.08341252 g/mol

Characteristics

PSA：

122 Å²

Computed Properties

Molecular Weight:389.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:389.08341252
Monoisotopic Mass:389.08341252
Topological Polar Surface Area:122
Heavy Atom Count:28
Complexity:867
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12-(2-hydroxy-5-methylbenzoyl)-4,5-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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