N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methanimine
Chemical Structure Depiction of
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methanimine
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methanimine
Compound characteristics
| Compound ID: | 8008-4758 |
| Compound Name: | N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methanimine |
| Molecular Weight: | 596.55 |
| Molecular Formula: | C25 H18 Br N5 O2 S3 |
| Smiles: | Cn1ccnc1Sc1ccc(/C=N/c2ccc3c(c2)sc(n3)SCc2ccc(cc2)[Br])cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1056 |
| logD: | 7.1023 |
| logSw: | -5.6981 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.904 |
| InChI Key: | LVEBZYKCRBGPST-UHFFFAOYSA-N |