N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V012-3192 |
| Compound Name: | N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 502.92 |
| Molecular Formula: | C25 H22 Cl F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1cccc(c1)C(F)(F)F)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3373 |
| logD: | 5.3362 |
| logSw: | -6.1568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.17 |
| InChI Key: | PJYAUTOPLYKPAW-UHFFFAOYSA-N |