4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V014-8299 |
| Compound Name: | 4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 546.46 |
| Molecular Formula: | C28 H25 Cl2 N7 O |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(Nc3cccc(c3)[Cl])=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9646 |
| logD: | 6.6839 |
| logSw: | -6.3773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.601 |
| InChI Key: | AJDLVFUXAWJPDU-UHFFFAOYSA-N |