3-benzyl-5-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-benzyl-5-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
3-benzyl-5-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V024-3447 |
| Compound Name: | 3-benzyl-5-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 483.02 |
| Molecular Formula: | C28 H27 Cl N6 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(Cc3ccccc3)n12)Cc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3775 |
| logD: | 5.012 |
| logSw: | -6.1132 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.841 |
| InChI Key: | SFIBHXQTESRNDA-UHFFFAOYSA-N |