N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}acetamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}acetamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}acetamide
Compound characteristics
| Compound ID: | Y500-0007 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}acetamide |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C15 H11 N3 O3 S2 |
| Smiles: | CC(Nc1cc(cc(c1)Sc1nc2ccccc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1919 |
| logD: | 4.1918 |
| logSw: | -4.3664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.692 |
| InChI Key: | HZDROUUCNHVQDK-UHFFFAOYSA-N |