2-chloro-N-({3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}carbamothioyl)-4-methylbenzamide
Chemical Structure Depiction of
2-chloro-N-({3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}carbamothioyl)-4-methylbenzamide
2-chloro-N-({3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}carbamothioyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | Y501-5628 |
| Compound Name: | 2-chloro-N-({3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}carbamothioyl)-4-methylbenzamide |
| Molecular Weight: | 493.45 |
| Molecular Formula: | C23 H26 Cl2 N4 O2 S |
| Smiles: | CC(C)C(N1CCN(CC1)c1ccc(cc1[Cl])NC(NC(c1ccc(C)cc1[Cl])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5814 |
| logD: | 5.5261 |
| logSw: | -5.9873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.119 |
| InChI Key: | AYRHWKGUWIQKPG-UHFFFAOYSA-N |