9-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline
Chemical Structure Depiction of
9-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline
9-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline
Compound characteristics
| Compound ID: | C301-9515 |
| Compound Name: | 9-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline |
| Molecular Weight: | 507.47 |
| Molecular Formula: | C27 H28 Cl2 N6 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C1=C2CCCCC2=Nc2nc(Cc3ccc(cc3)[Cl])nn12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7929 |
| logD: | 6.7929 |
| logSw: | -6.4721 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 42.368 |
| InChI Key: | KXQQQFYBEVHWOQ-UHFFFAOYSA-N |