3-(4-bromophenyl)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
Chemical Structure Depiction of
3-(4-bromophenyl)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
3-(4-bromophenyl)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
Compound characteristics
| Compound ID: | 8008-4090 |
| Compound Name: | 3-(4-bromophenyl)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide |
| Molecular Weight: | 578.46 |
| Molecular Formula: | C22 H20 Br N5 O5 S2 |
| Smiles: | COc1cc(NS(c2ccc(cc2)NC(NC(/C=C/c2ccc(cc2)[Br])=O)=S)(=O)=O)nc(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7476 |
| logD: | 1.62 |
| logSw: | -4.6191 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.603 |
| InChI Key: | MOBLKAXRWBGIKP-UHFFFAOYSA-N |