5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl methanesulfonate
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | V002-5767 |
| Compound Name: | 5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 371.49 |
| Molecular Formula: | C18 H29 N O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(C)(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0038 |
| logD: | 3.0038 |
| logSw: | -3.2986 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.803 |
| InChI Key: | NLUFUZQFMJRACR-UHFFFAOYSA-N |