dimethyl 2-{[benzyl(propan-2-yl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[benzyl(propan-2-yl)carbamothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[benzyl(propan-2-yl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1704 |
| Compound Name: | dimethyl 2-{[benzyl(propan-2-yl)carbamothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | CC(C)N(Cc1ccccc1)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6651 |
| logD: | 4.6651 |
| logSw: | -4.4687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.093 |
| InChI Key: | UFUMUTRNLMTFCX-UHFFFAOYSA-N |