4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate
4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 4477-1099 |
| Compound Name: | 4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C24 H17 N O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C=C2C(c3ccccc3C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5541 |
| logD: | 3.554 |
| logSw: | -3.9847 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.57 |
| InChI Key: | ISQZWPMDFLETER-UHFFFAOYSA-N |