N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea
N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V024-0045 |
| Compound Name: | N-{6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-[2-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 517.94 |
| Molecular Formula: | C25 H23 Cl F3 N5 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Nc1ccccc1C(F)(F)F)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.701 |
| logD: | 5.7009 |
| logSw: | -6.0525 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.684 |
| InChI Key: | XDCSPSVEBSXEKM-UHFFFAOYSA-N |