methyl 4-cyano-3-methyl-5-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-3-methyl-5-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-2-carboxylate
methyl 4-cyano-3-methyl-5-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y205-4058 |
| Compound Name: | methyl 4-cyano-3-methyl-5-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C17 H16 N2 O3 S2 |
| Smiles: | Cc1c(C#N)c(NC(c2csc3CCCCc23)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.734 |
| logD: | 1.9461 |
| logSw: | -4.1696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.293 |
| InChI Key: | FMNGSYGQKFUASR-UHFFFAOYSA-N |