N-{6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea
N-{6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V024-0075 |
| Compound Name: | N-{6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 519.47 |
| Molecular Formula: | C25 H22 F5 N5 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Nc1ccccc1C(F)(F)F)=O)C(c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.563 |
| logD: | 5.563 |
| logSw: | -5.5597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.684 |
| InChI Key: | JXSMVRAAKDLXNR-UHFFFAOYSA-N |