N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8016-3390 |
| Compound Name: | N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C19 H16 N2 O3 |
| Smiles: | C(c1ccc(cc1)n1cccc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4228 |
| logD: | 3.4228 |
| logSw: | -3.634 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.753 |
| InChI Key: | KVPXBQQORRSJTA-UHFFFAOYSA-N |