N-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
N-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V029-6072 |
| Compound Name: | N-{6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 497.52 |
| Molecular Formula: | C26 H26 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(N1CCCN(CC1)c1ccc(cn1)NC(Nc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.853 |
| logD: | 5.8529 |
| logSw: | -5.362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.382 |
| InChI Key: | DRNNSFVDOGNMKX-UHFFFAOYSA-N |