N-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide
N-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8010-5412 |
| Compound Name: | N-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl}-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C17 H17 N3 O5 S3 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCCNS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3233 |
| logD: | 4.3232 |
| logSw: | -4.3076 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.425 |
| InChI Key: | RFTVKQDUXJVVCU-UHFFFAOYSA-N |