propan-2-yl 4-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}benzoate
propan-2-yl 4-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8012-8448 |
| Compound Name: | propan-2-yl 4-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 451.34 |
| Molecular Formula: | C19 H19 Br N2 O4 S |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(NC(c1ccc(c(c1)[Br])OC)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7368 |
| logD: | 4.7344 |
| logSw: | -4.6416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.303 |
| InChI Key: | XGWGIFLNPREJPJ-UHFFFAOYSA-N |