3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9408 |
| Compound Name: | 3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 517.04 |
| Molecular Formula: | C26 H29 Cl N2 O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0029 |
| logD: | 6.0029 |
| logSw: | -6.0417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.293 |
| InChI Key: | ZBTSDAASQDCESA-IBGZPJMESA-N |