benzyl 4-(5-{[2-(trifluoromethyl)phenyl]carbamamido}pyridin-2-yl)-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-(5-{[2-(trifluoromethyl)phenyl]carbamamido}pyridin-2-yl)-1,4-diazepane-1-carboxylate
benzyl 4-(5-{[2-(trifluoromethyl)phenyl]carbamamido}pyridin-2-yl)-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V015-1804 |
| Compound Name: | benzyl 4-(5-{[2-(trifluoromethyl)phenyl]carbamamido}pyridin-2-yl)-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 513.52 |
| Molecular Formula: | C26 H26 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Nc1ccccc1C(F)(F)F)=O)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1938 |
| logD: | 6.1832 |
| logSw: | -5.78 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.112 |
| InChI Key: | YQLLVJHFIDXXIH-UHFFFAOYSA-N |