2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3448-3242 |
| Compound Name: | 2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 522.51 |
| Molecular Formula: | C23 H14 N4 O7 S2 |
| Smiles: | COc1ccc(cc1CSc1nc2ccc(cc2s1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2878 |
| logD: | 5.2878 |
| logSw: | -5.3983 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 112.083 |
| InChI Key: | IZEXTWDAUUGWPM-UHFFFAOYSA-N |