N-(3,5-dimethoxyphenyl)-N'-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-N'-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
N-(3,5-dimethoxyphenyl)-N'-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
Compound characteristics
| Compound ID: | V021-3876 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-N'-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H30 F N5 O3 |
| Smiles: | COc1cc(cc(c1)OC)NC(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2887 |
| logD: | 5.2039 |
| logSw: | -5.1031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.554 |
| InChI Key: | CTMZQXBXBJMELJ-UHFFFAOYSA-N |