methyl N-({[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetyl)phenylalaninate
Chemical Structure Depiction of
methyl N-({[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetyl)phenylalaninate
methyl N-({[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetyl)phenylalaninate
Compound characteristics
Compound ID: | 8017-5847 |
Compound Name: | methyl N-({[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetyl)phenylalaninate |
Molecular Weight: | 389.52 |
Molecular Formula: | C20 H27 N3 O3 S |
Smiles: | CC(C)Cc1c(C)nc([nH]1)SCC(NC(Cc1ccccc1)C(=O)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7943 |
logD: | 2.6101 |
logSw: | -3.201 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.397 |
InChI Key: | FVGVMNSOPRLGNS-KRWDZBQOSA-N |