N-[6-(4-{[4-(propan-2-yl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[6-(4-{[4-(propan-2-yl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-(trifluoromethyl)benzamide
N-[6-(4-{[4-(propan-2-yl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V024-1656 |
| Compound Name: | N-[6-(4-{[4-(propan-2-yl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C28 H31 F3 N4 O |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(CN2CCCN(CC2)c2ccc(cn2)NC(c2ccccc2C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1811 |
| logD: | 5.7235 |
| logSw: | -5.3639 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.255 |
| InChI Key: | BKKFLFDTPDUZIH-UHFFFAOYSA-N |