diethyl 3-methyl-5-{[(4-nitrobenzoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-{[(4-nitrobenzoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-{[(4-nitrobenzoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 1683-0623 |
| Compound Name: | diethyl 3-methyl-5-{[(4-nitrobenzoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C19 H19 N3 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(NC(c1ccc(cc1)[N+]([O-])=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9802 |
| logD: | 2.3419 |
| logSw: | -4.3308 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.923 |
| InChI Key: | VZBBZIKHSRDCDZ-UHFFFAOYSA-N |