N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Compound characteristics
Compound ID: | V012-5517 |
Compound Name: | N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide |
Molecular Weight: | 502.92 |
Molecular Formula: | C25 H22 Cl F3 N4 O2 |
Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1cccc(c1)C(F)(F)F)=O)C(c1ccccc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.1566 |
logD: | 5.1555 |
logSw: | -5.3927 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.17 |
InChI Key: | JKYHBHIVQMAIIC-UHFFFAOYSA-N |