9-(4-chlorophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-chlorophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-chlorophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-0799 |
| Compound Name: | 9-(4-chlorophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 402.94 |
| Molecular Formula: | C20 H23 Cl N4 O S |
| Smiles: | CCCCCSc1nc2NC3CCCC(C=3C(c3ccc(cc3)[Cl])n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8291 |
| logD: | 5.7228 |
| logSw: | -6.1468 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | NTOMNWMVNGVDHW-SFHVURJKSA-N |