3-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate
3-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-4516 |
| Compound Name: | 3-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C19 H25 N O4 S2 |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(C(C)C)(=O)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1641 |
| logD: | 4.1641 |
| logSw: | -4.2152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.501 |
| InChI Key: | BOHVSTMZWPIHCC-UHFFFAOYSA-N |