N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D715-2135 |
| Compound Name: | N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | Cc1c(c(NC(c2ccc3c(c2)OCO3)=O)n(CC=C)c1C)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8178 |
| logD: | 3.8029 |
| logSw: | -4.0337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.565 |
| InChI Key: | FRYIWOAEXUZBEW-UHFFFAOYSA-N |