N-{[2-(azepan-1-yl)pyridin-4-yl]methyl}-N'-(2H-1,3-benzodioxol-5-yl)urea
Chemical Structure Depiction of
N-{[2-(azepan-1-yl)pyridin-4-yl]methyl}-N'-(2H-1,3-benzodioxol-5-yl)urea
N-{[2-(azepan-1-yl)pyridin-4-yl]methyl}-N'-(2H-1,3-benzodioxol-5-yl)urea
Compound characteristics
| Compound ID: | L585-0460 |
| Compound Name: | N-{[2-(azepan-1-yl)pyridin-4-yl]methyl}-N'-(2H-1,3-benzodioxol-5-yl)urea |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C20 H24 N4 O3 |
| Smiles: | C1CCCN(CC1)c1cc(CNC(Nc2ccc3c(c2)OCO3)=O)ccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7806 |
| logD: | 3.7768 |
| logSw: | -3.8945 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.274 |
| InChI Key: | VWFZYRRTYJIFPD-UHFFFAOYSA-N |