N-(6-{4-[(2-chloro-5-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(6-{4-[(2-chloro-5-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-(trifluoromethyl)benzamide
N-(6-{4-[(2-chloro-5-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V024-1689 |
| Compound Name: | N-(6-{4-[(2-chloro-5-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 533.94 |
| Molecular Formula: | C25 H23 Cl F3 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1ccccc1C(F)(F)F)=O)Cc1cc(ccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3536 |
| logD: | 5.0884 |
| logSw: | -5.9371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.636 |
| InChI Key: | QGHLDZYQJRPSTF-UHFFFAOYSA-N |