2-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
2-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-8959 |
| Compound Name: | 2-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 367.48 |
| Molecular Formula: | C17 H21 N O4 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccccc1CN(C(C)C)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5283 |
| logD: | 3.5283 |
| logSw: | -3.6189 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.407 |
| InChI Key: | CZSZQJXSKUNUSZ-UHFFFAOYSA-N |