N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Compound characteristics
| Compound ID: | G702-0919 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine |
| Molecular Weight: | 313.79 |
| Molecular Formula: | C16 H16 Cl N5 |
| Smiles: | Cc1ccc(cc1[Cl])NC1=C2CCCCC2=Nc2ncnn12 |
| Stereo: | ACHIRAL |
| logP: | 4.2762 |
| logD: | 4.276 |
| logSw: | -4.3561 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.105 |
| InChI Key: | BQKWPINGSSNUJY-UHFFFAOYSA-N |