3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2049 |
| Compound Name: | 3-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 452.01 |
| Molecular Formula: | C23 H30 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.518 |
| logD: | 5.518 |
| logSw: | -5.9312 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.283 |
| InChI Key: | WESKWCPLJCZBRO-SFHVURJKSA-N |