4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-2972 |
| Compound Name: | 4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 512.01 |
| Molecular Formula: | C28 H26 Cl N7 O |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2ccccc2c2nnc(Cc3ccccc3)n12)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3226 |
| logD: | 5.3062 |
| logSw: | -5.9411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.577 |
| InChI Key: | MSOMRYGSMKPEBB-UHFFFAOYSA-N |