benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V012-5528 |
| Compound Name: | benzyl 4-{5-[3-(trifluoromethyl)benzamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C26 H25 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1cccc(c1)C(F)(F)F)=O)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8302 |
| logD: | 5.8187 |
| logSw: | -5.9102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.598 |
| InChI Key: | WALHDLPATRECPP-UHFFFAOYSA-N |