dimethyl 5-{[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-4-(morpholin-4-yl)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-4-(morpholin-4-yl)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-4-(morpholin-4-yl)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8011-5566 |
| Compound Name: | dimethyl 5-{[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-4-(morpholin-4-yl)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 595.63 |
| Molecular Formula: | C29 H29 N3 O9 S |
| Smiles: | COC(c1cc(cc(c1)NS(c1ccc(c(c1)N1C(C2C3CC(C=C3)C2C1=O)=O)N1CCOCC1)(=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.852 |
| logD: | 2.8068 |
| logSw: | -3.6446 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.481 |
| InChI Key: | OXOSAOPQRJDHME-UHFFFAOYSA-N |