N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-4-(pyrrolidine-1-sulfonyl)benzamide
N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3343-0589 |
| Compound Name: | N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C25 H22 N4 O3 S3 |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C(NC(Nc1cccc(c1)c1nc2ccccc2s1)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4757 |
| logD: | 5.4741 |
| logSw: | -5.8922 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.766 |
| InChI Key: | XYUCMEPYKBVPGM-UHFFFAOYSA-N |