methyl 2-{[(4-methylphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-methylphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[(4-methylphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C200-0890 |
| Compound Name: | methyl 2-{[(4-methylphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C18 H20 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(Nc1c(C(=O)OC)c2CCCCc2s1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0244 |
| logD: | 4.6275 |
| logSw: | -4.7604 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.95 |
| InChI Key: | KKYFPPJAWFYSHA-UHFFFAOYSA-N |