N-{6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
N-{6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V028-6594 |
| Compound Name: | N-{6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 486.47 |
| Molecular Formula: | C25 H22 F4 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1cccc(c1)C(F)(F)F)=O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8782 |
| logD: | 4.8771 |
| logSw: | -4.6638 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.17 |
| InChI Key: | MERWEAQEFHLHKS-UHFFFAOYSA-N |