2-(hexylsulfanyl)-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(hexylsulfanyl)-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(hexylsulfanyl)-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2270 |
| Compound Name: | 2-(hexylsulfanyl)-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | CCCCCCSc1nc2NC3CCCC(C=3C(c3ccc(C)cc3)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1536 |
| logD: | 6.0474 |
| logSw: | -5.2802 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | COPRQJJMSFGPQV-FQEVSTJZSA-N |