4-bromo-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-bromo-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8009-7243 |
| Compound Name: | 4-bromo-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 530.42 |
| Molecular Formula: | C22 H16 Br N3 O4 S2 |
| Smiles: | COc1ccc(cc1CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.503 |
| logD: | 6.4978 |
| logSw: | -5.6346 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.151 |
| InChI Key: | TZWZFMLYHHEXIY-UHFFFAOYSA-N |