benzyl 4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
benzyl 4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V023-9789 |
| Compound Name: | benzyl 4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 513 |
| Molecular Formula: | C28 H25 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8951 |
| logD: | 5.8299 |
| logSw: | -5.9899 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.208 |
| InChI Key: | CFZUPERFEZELQM-UHFFFAOYSA-N |