methyl 3-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]thiophene-2-carboxylate
methyl 3-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y503-0775 |
| Compound Name: | methyl 3-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]thiophene-2-carboxylate |
| Molecular Weight: | 331.34 |
| Molecular Formula: | C16 H13 N O5 S |
| Smiles: | COC(c1c(ccs1)NC(/C=C/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4192 |
| logD: | 3.3808 |
| logSw: | -3.7447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.726 |
| InChI Key: | NJRVMKSHEFXPFK-UHFFFAOYSA-N |