methyl 3-{[benzyl(2-phenylethyl)carbamothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[benzyl(2-phenylethyl)carbamothioyl]amino}thiophene-2-carboxylate
methyl 3-{[benzyl(2-phenylethyl)carbamothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1730 |
| Compound Name: | methyl 3-{[benzyl(2-phenylethyl)carbamothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C22 H22 N2 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N(CCc1ccccc1)Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1469 |
| logD: | 5.1467 |
| logSw: | -5.0481 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.901 |
| InChI Key: | LGMDHHIBXNIMKS-UHFFFAOYSA-N |