propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9848 |
| Compound Name: | propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C22 H26 N2 O6 S |
| Smiles: | CCN(CC)C(c1c(C)c(C(=O)OC(C)C)c(NC(c2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.717 |
| logD: | 1.5829 |
| logSw: | -4.1964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.604 |
| InChI Key: | XUPSKYJRMCHVMP-UHFFFAOYSA-N |