propan-2-yl 2-[(4-{[acetyl(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate
Chemical Structure Depiction of
propan-2-yl 2-[(4-{[acetyl(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate
propan-2-yl 2-[(4-{[acetyl(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate
Compound characteristics
| Compound ID: | V029-9616 |
| Compound Name: | propan-2-yl 2-[(4-{[acetyl(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate |
| Molecular Weight: | 433.52 |
| Molecular Formula: | C22 H27 N O6 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1ccccc1C(=O)OC(C)C)(=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3348 |
| logD: | 3.3348 |
| logSw: | -3.7136 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.127 |
| InChI Key: | LYUPBMMWZCYVNZ-UHFFFAOYSA-N |