2-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]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-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-5092 |
| Compound Name: | 2-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 539.68 |
| Molecular Formula: | C30 H25 N3 O3 S2 |
| Smiles: | C1CCc2c(C1)c1ccccc1n2C(CSc1nc2ccc(cc2s1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.901 |
| logD: | 4.901 |
| logSw: | -5.2367 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.324 |
| InChI Key: | MONFARQPNSJPCZ-UHFFFAOYSA-N |