4-chloro-2-{[(2-methoxyethyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[(2-methoxyethyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
4-chloro-2-{[(2-methoxyethyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-5399 |
| Compound Name: | 4-chloro-2-{[(2-methoxyethyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 417.93 |
| Molecular Formula: | C17 H20 Cl N O5 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CCOC)C(c1cccs1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2217 |
| logD: | 3.2217 |
| logSw: | -3.4231 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.984 |
| InChI Key: | JXENXBRTMYSOMJ-UHFFFAOYSA-N |