9-(3-chlorophenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-chlorophenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-chlorophenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2251 |
| Compound Name: | 9-(3-chlorophenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 416.97 |
| Molecular Formula: | C21 H25 Cl N4 O S |
| Smiles: | CCCCCCSc1nc2NC3CCCC(C=3C(c3cccc(c3)[Cl])n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3332 |
| logD: | 6.227 |
| logSw: | -6.0318 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | ZEZHFNANNZXJIV-IBGZPJMESA-N |