2-(butylsulfanyl)-9-(3-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-9-(3-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(butylsulfanyl)-9-(3-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2709 |
| Compound Name: | 2-(butylsulfanyl)-9-(3-chlorophenyl)-6,6-dimethyl-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: | CCCCSc1nc2NC3CC(C)(C)CC(C=3C(c3cccc(c3)[Cl])n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7622 |
| logD: | 5.5362 |
| logSw: | -5.8178 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | QEQFUJIHYZXFGL-SFHVURJKSA-N |