methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0031 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C21 H16 Cl N O5 S |
| Smiles: | Cc1c(c2ccc(cc2)[Cl])c(C(=O)OC)c(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1892 |
| logD: | 4.7884 |
| logSw: | -5.885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.142 |
| InChI Key: | MFUIDVLLFSGRRA-UHFFFAOYSA-N |