2-({2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}amino)-2-oxoethyl pyrrolidine-1-carbodithioate
Chemical Structure Depiction of
2-({2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}amino)-2-oxoethyl pyrrolidine-1-carbodithioate
2-({2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}amino)-2-oxoethyl pyrrolidine-1-carbodithioate
Compound characteristics
| Compound ID: | 8009-8345 |
| Compound Name: | 2-({2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}amino)-2-oxoethyl pyrrolidine-1-carbodithioate |
| Molecular Weight: | 502.7 |
| Molecular Formula: | C22 H22 N4 O2 S4 |
| Smiles: | C1CCN(C1)C(=S)SCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9525 |
| logD: | 4.9525 |
| logSw: | -4.8271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.533 |
| InChI Key: | KCMUEVTZDDXCAN-UHFFFAOYSA-N |