4-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate
4-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-1776 |
| Compound Name: | 4-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C19 H25 N O4 S2 |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1283 |
| logD: | 4.1283 |
| logSw: | -3.9742 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.829 |
| InChI Key: | PLVQELXEEWGGJY-HNNXBMFYSA-N |