3-methyl-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
3-methyl-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
3-methyl-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8009-3890 |
| Compound Name: | 3-methyl-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C23 H18 N4 O4 S2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.257 |
| logD: | 5.2455 |
| logSw: | -5.1233 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.672 |
| InChI Key: | IRNLFGHDTLAYGN-UHFFFAOYSA-N |