2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl pyrrolidine-1-carbodithioate
Chemical Structure Depiction of
2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl pyrrolidine-1-carbodithioate
2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl pyrrolidine-1-carbodithioate
Compound characteristics
Compound ID: | 4027-0024 |
Compound Name: | 2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl pyrrolidine-1-carbodithioate |
Molecular Weight: | 522.13 |
Molecular Formula: | C22 H20 Cl N3 O2 S4 |
Smiles: | C1CCN(C1)C(=S)SCC(Nc1ccc2c(c1)sc(n2)SCC(c1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.8662 |
logD: | 5.8662 |
logSw: | -6.1884 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.631 |
InChI Key: | DOYSPOIBAGBRTC-UHFFFAOYSA-N |