2-({[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)-4-nitrophenol
Chemical Structure Depiction of
2-({[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)-4-nitrophenol
2-({[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)-4-nitrophenol
Compound characteristics
| Compound ID: | 2513-2267 |
| Compound Name: | 2-({[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)-4-nitrophenol |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C22 H17 N3 O3 S2 |
| Smiles: | C1CCc2c(C1)c(c(/N=C/c1cc(ccc1O)[N+]([O-])=O)s2)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.424 |
| logD: | 5.3184 |
| logSw: | -5.8899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.459 |
| InChI Key: | NMGKZXVLLWHTHJ-UHFFFAOYSA-N |