4-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
4-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-4504 |
| Compound Name: | 4-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C(C)C)C(Nc2ccccc2OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.579 |
| logD: | 3.579 |
| logSw: | -3.7422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.055 |
| InChI Key: | ZUOGEHAPHBOXGY-UHFFFAOYSA-N |