methyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}benzoate
methyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 1889-2582 |
| Compound Name: | methyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C16 H13 N3 O5 S |
| Smiles: | COC(c1ccccc1NC(NC(c1ccc(cc1)[N+]([O-])=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2947 |
| logD: | 3.2867 |
| logSw: | -3.9114 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.097 |
| InChI Key: | POKQCBYBVPHYAI-UHFFFAOYSA-N |