N-{6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
N-{6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V012-3227 |
| Compound Name: | N-{6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 474.5 |
| Molecular Formula: | C23 H21 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1cccc(c1)C(F)(F)F)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.879 |
| logD: | 4.8779 |
| logSw: | -4.7733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.189 |
| InChI Key: | PPTKWHLNEYIOIO-UHFFFAOYSA-N |