benzyl 4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
benzyl 4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V021-6161 |
| Compound Name: | benzyl 4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C29 H28 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(=O)OCc3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 6.0868 |
| logD: | 6.0257 |
| logSw: | -5.7198 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.208 |
| InChI Key: | CWKIGXPNDLPEGY-UHFFFAOYSA-N |