3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C156-0101 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}prop-2-enamide |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C21 H20 N2 O3 S |
| Smiles: | Cc1c(c2ccccc2[nH]1)SCCNC(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1916 |
| logD: | 4.1916 |
| logSw: | -4.4199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.321 |
| InChI Key: | OYMLYODBGIBALQ-UHFFFAOYSA-N |