4-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl methanesulfonate
4-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V002-1318 |
| Compound Name: | 4-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 383.55 |
| Molecular Formula: | C20 H33 N O4 S |
| Smiles: | CC(CC(N(Cc1ccc(cc1)OS(C)(=O)=O)C(C)C)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2315 |
| logD: | 4.2315 |
| logSw: | -4.1671 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.086 |
| InChI Key: | ZCBIUQUNPYYRFG-MRXNPFEDSA-N |