4-chloro-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-2749 |
| Compound Name: | 4-chloro-2-{[2-methyl-N-(2-methylpropyl)propanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 375.91 |
| Molecular Formula: | C17 H26 Cl N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CC(C)C)C(C(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0375 |
| logD: | 4.0375 |
| logSw: | -4.4164 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.916 |
| InChI Key: | HVSOJNBCOFNDQP-UHFFFAOYSA-N |