3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]propanamide
Chemical Structure Depiction of
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]propanamide
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | K978-0288 |
| Compound Name: | 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]propanamide |
| Molecular Weight: | 502.52 |
| Molecular Formula: | C21 H18 N4 O7 S2 |
| Smiles: | C(CN1C(C2C3CC(C=C3)C2C1=O)=O)C(Nc1ncc(s1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9152 |
| logD: | 1.9007 |
| logSw: | -2.6126 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.914 |
| InChI Key: | ACBPWTCBBWPZLX-UHFFFAOYSA-N |