N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(pyrrolidine-1-sulfonyl)benzamide
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3339-4513 |
| Compound Name: | N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C20 H20 N4 O3 S3 |
| Smiles: | Cc1ccc2c(c1)sc(NC(NC(c1ccc(cc1)S(N1CCCC1)(=O)=O)=O)=S)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4199 |
| logD: | 4.418 |
| logSw: | -4.1991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.078 |
| InChI Key: | KUMKVEBYJDYJOD-UHFFFAOYSA-N |