Nalpha-(4-bromobenzene-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]phenylalaninamide
Chemical Structure Depiction of
Nalpha-(4-bromobenzene-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]phenylalaninamide
Nalpha-(4-bromobenzene-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]phenylalaninamide
Compound characteristics
Compound ID: | K938-0016 |
Compound Name: | Nalpha-(4-bromobenzene-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]phenylalaninamide |
Molecular Weight: | 547.47 |
Molecular Formula: | C25 H27 Br N2 O5 S |
Smiles: | COc1ccc(CCNC(C(Cc2ccccc2)NS(c2ccc(cc2)[Br])(=O)=O)=O)cc1OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0971 |
logD: | 4.097 |
logSw: | -4.3556 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.356 |
InChI Key: | KKJMMFAJOVUXCY-QFIPXVFZSA-N |