AC1NY8AN

9-(3-ethoxy-4-hydroxyphenyl)-2-ethylsulfanyl-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Also Known As: BAS 11132740|9-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|9-(3-ETHOXY-4-HYDROXYPHENYL)-2-(ETHYLSULFANYL)-6,6-DIMETHYL-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE|9-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|9-(3-ethoxy-4-hydroxyphenyl)-2-(ethylthio)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|9-(3-ethoxy-4-hydroxyphenyl)-2-ethylsulfanyl-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one|9-(3-ethoxy-4-hydroxyphenyl)-2-ethylthio-6,6-dimethyl-4,5,6,7,9,10-hexahydro-1 ,2,4-triazolo[5,1-b]quinazolin-8-one

Molecular Formula	C21H26N4O3S
Molecular Weight	414.17258 g/mol
LogP	4.1525
Topological Polar Surface Area	89.27 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	414.17258
Monoisotopic Mass	414.17258
Heavy Atoms	29
Complexity	995.80756

Chemical Identifiers

CAS Number	727403-99-8
SMILES	CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=NC(=NN24)SCC)O