2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl methanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl methanesulfonate
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl methanesulfonate
Compound characteristics
| Compound ID: | V002-5511 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-4-chlorophenyl methanesulfonate |
| Molecular Weight: | 361.89 |
| Molecular Formula: | C16 H24 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7282 |
| logD: | 3.7282 |
| logSw: | -4.1796 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.285 |
| InChI Key: | SSHIBTPHCDCWKF-LBPRGKRZSA-N |