1-(4-bromophenyl)-N-(2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine
Chemical Structure Depiction of
1-(4-bromophenyl)-N-(2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine
1-(4-bromophenyl)-N-(2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine
Compound characteristics
| Compound ID: | 8009-9156 |
| Compound Name: | 1-(4-bromophenyl)-N-(2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine |
| Molecular Weight: | 514.42 |
| Molecular Formula: | C22 H16 Br N3 O3 S2 |
| Smiles: | COc1ccc(CSc2nc3ccc(cc3s2)/N=C/c2ccc(cc2)[Br])cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1696 |
| logD: | 6.1692 |
| logSw: | -5.6257 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.887 |
| InChI Key: | KIJVZTSMNHEBNC-UHFFFAOYSA-N |