2-[(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl diethylcarbamodithioate
Chemical Structure Depiction of
2-[(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl diethylcarbamodithioate
2-[(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl diethylcarbamodithioate
Compound characteristics
| Compound ID: | 3448-1909 |
| Compound Name: | 2-[(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl diethylcarbamodithioate |
| Molecular Weight: | 536.71 |
| Molecular Formula: | C22 H24 N4 O4 S4 |
| Smiles: | CCN(CC)C(=S)SCC(Nc1ccc2c(c1)sc(n2)SCc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7904 |
| logD: | 5.7904 |
| logSw: | -5.4828 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.314 |
| InChI Key: | ZVKMFNUUOCOMIS-UHFFFAOYSA-N |