methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6299 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CCN(CC)C(c1c(C)c(C(=O)OC)c(NC(c2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8245 |
| logD: | 0.6904 |
| logSw: | -3.4187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.345 |
| InChI Key: | SMDVNXUBFCKKAT-UHFFFAOYSA-N |