2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-5091 |
| Compound Name: | 2-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C24 H19 N3 O5 S2 |
| Smiles: | COc1ccc(cc1CSc1nc2ccc(cc2s1)N1C(C2C3CC(C=C3)C2C1=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2026 |
| logD: | 4.2026 |
| logSw: | -4.5464 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.546 |
| InChI Key: | RDYAAFIMNVFUBF-UHFFFAOYSA-N |