N-{4-(azepan-1-yl)-3-[(2H-1,3-benzodioxol-5-yl)carbamamido]phenyl}benzamide
Chemical Structure Depiction of
N-{4-(azepan-1-yl)-3-[(2H-1,3-benzodioxol-5-yl)carbamamido]phenyl}benzamide
N-{4-(azepan-1-yl)-3-[(2H-1,3-benzodioxol-5-yl)carbamamido]phenyl}benzamide
Compound characteristics
| Compound ID: | F694-1398 |
| Compound Name: | N-{4-(azepan-1-yl)-3-[(2H-1,3-benzodioxol-5-yl)carbamamido]phenyl}benzamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1NC(Nc1ccc2c(c1)OCO2)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7822 |
| logD: | 5.5231 |
| logSw: | -5.8573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.533 |
| InChI Key: | PHQMLZKVICTESI-UHFFFAOYSA-N |