N-(2-methylphenyl)-N'-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
Chemical Structure Depiction of
N-(2-methylphenyl)-N'-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
N-(2-methylphenyl)-N'-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
Compound characteristics
| Compound ID: | V024-1659 |
| Compound Name: | N-(2-methylphenyl)-N'-(6-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea |
| Molecular Weight: | 497.52 |
| Molecular Formula: | C26 H26 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1NC(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2582 |
| logD: | 5.2581 |
| logSw: | -4.8945 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.684 |
| InChI Key: | CMYMSBMDNVRUJJ-UHFFFAOYSA-N |