2-(benzylsulfanyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
					Chemical Structure Depiction of
2-(benzylsulfanyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
			2-(benzylsulfanyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0146 | 
| Compound Name: | 2-(benzylsulfanyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one | 
| Molecular Weight: | 506.62 | 
| Molecular Formula: | C27 H30 N4 O4 S | 
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)OC)OC)OC)n3c(N2)nc(n3)SCc2ccccc2)C(C1)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.6779 | 
| logD: | 4.5388 | 
| logSw: | -4.5823 | 
| Hydrogen bond acceptors count: | 8 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 72.045 | 
| InChI Key: | XRRYDNVLYROSGQ-QHCPKHFHSA-N | 
 
				 
				