3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-methylbenzene-1-sulfonate
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 2658-0454 |
| Compound Name: | 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)N1C(C2C3CCC(C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1373 |
| logD: | 3.1373 |
| logSw: | -3.4081 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.486 |
| InChI Key: | JNTCXBPGPSVBAU-UHFFFAOYSA-N |