4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-2386 |
| Compound Name: | 4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 415.96 |
| Molecular Formula: | C18 H22 Cl N O4 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CC(C)C)C(c1cccs1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5419 |
| logD: | 4.5419 |
| logSw: | -4.6395 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.663 |
| InChI Key: | TVVDAHVCTUOFIV-UHFFFAOYSA-N |