6,6-dimethyl-9-(4-methylphenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-(4-methylphenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-(4-methylphenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2840 |
| Compound Name: | 6,6-dimethyl-9-(4-methylphenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 410.58 |
| Molecular Formula: | C23 H30 N4 O S |
| Smiles: | CCCCCSc1nc2NC3CC(C)(C)CC(C=3C(c3ccc(C)cc3)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2633 |
| logD: | 6.0373 |
| logSw: | -5.2943 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | MXPLZFGBULEEGT-FQEVSTJZSA-N |