methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y205-1593 |
| Compound Name: | methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 390.86 |
| Molecular Formula: | C17 H11 Cl N2 O3 S2 |
| Smiles: | Cc1c(C#N)c(NC(c2c(c3ccccc3s2)[Cl])=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3763 |
| logD: | 1.7132 |
| logSw: | -4.9914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.101 |
| InChI Key: | IVOWUSLXMFCKLI-UHFFFAOYSA-N |