N-butyl-2-[(6-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-butyl-2-[(6-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
N-butyl-2-[(6-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8007-6991 |
| Compound Name: | N-butyl-2-[(6-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C20 H20 N4 O4 S2 |
| Smiles: | CCCCNC(CSc1nc2ccc(cc2s1)/N=C/c1cc(ccc1O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5982 |
| logD: | 2.7468 |
| logSw: | -4.1598 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.69 |
| InChI Key: | XDCWGMKHZANWOD-UHFFFAOYSA-N |