N-(3,5-dimethoxyphenyl)-N'-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-N'-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
N-(3,5-dimethoxyphenyl)-N'-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea
Compound characteristics
| Compound ID: | V025-3588 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-N'-[6-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]urea |
| Molecular Weight: | 529.56 |
| Molecular Formula: | C27 H30 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)NC(Nc1ccc(nc1)N1CCCN(CC1)Cc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0165 |
| logD: | 5.99 |
| logSw: | -5.4506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.554 |
| InChI Key: | SRMFYIIEZVCGJX-UHFFFAOYSA-N |