N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8009-6235 |
| Compound Name: | N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C17 H15 N3 O4 S2 |
| Smiles: | CC(Nc1ccc2c(c1)sc(n2)SCc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0392 |
| logD: | 4.0392 |
| logSw: | -4.196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.322 |
| InChI Key: | HNBBRKMPFBEXBG-UHFFFAOYSA-N |