2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0115 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 372.87 |
| Molecular Formula: | C18 H17 Cl N4 O S |
| Smiles: | CC1(C)CC2C(=Cn3c(N=2)nc(n3)SCc2ccccc2[Cl])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6714 |
| logD: | 3.6714 |
| logSw: | -3.8516 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.393 |
| InChI Key: | SIRVSFYWFNPXPS-UHFFFAOYSA-N |