AC1O1D0L

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

Also Known As: 2-(ethylsulfanyl)-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-(ETHYLSULFANYL)-6,6-DIMETHYL-9-(3-NITROPHENYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE|2-(ethylsulfanyl)-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|2-(ethylthio)-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-ethylsulfanyl-6,6-dimethyl-9-(3-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-ethylthio-6,6-dimethyl-9-(3-nitrophenyl)-4,5,6,7,9,10-hexahydro-1,2,4-triazo lo[5,1-b]quinazolin-8-one

Molecular Formula	C19H21N5O3S
Molecular Weight	399.1365 g/mol
LogP	3.9564
Topological Polar Surface Area	102.95 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	399.1365
Monoisotopic Mass	399.1365
Heavy Atoms	28
Complexity	1010.7481

Chemical Identifiers

CAS Number	727403-90-9
SMILES	CCSC1=NN2C(C3=C(CC(CC3=O)(C)C)NC2=N1)C4=CC(=CC=C4)[N+](=O)[O-]