methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0454 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 333.36 |
| Molecular Formula: | C16 H15 N O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2ccc3c(c2)OCO3)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.222 |
| logD: | 0.457 |
| logSw: | -3.5472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.413 |
| InChI Key: | CJPPUPFZCOTGSL-UHFFFAOYSA-N |