N-{3-[(2H-1,3-benzodioxol-5-yl)carbamamido]-4-(pyrrolidin-1-yl)phenyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{3-[(2H-1,3-benzodioxol-5-yl)carbamamido]-4-(pyrrolidin-1-yl)phenyl}-4-methylbenzamide
N-{3-[(2H-1,3-benzodioxol-5-yl)carbamamido]-4-(pyrrolidin-1-yl)phenyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | F694-0732 |
| Compound Name: | N-{3-[(2H-1,3-benzodioxol-5-yl)carbamamido]-4-(pyrrolidin-1-yl)phenyl}-4-methylbenzamide |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)NC(Nc1ccc2c(c1)OCO2)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4599 |
| logD: | 5.459 |
| logSw: | -5.3579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.568 |
| InChI Key: | QPPFWKGXUZJYJO-UHFFFAOYSA-N |