N-{2-[benzyl(methyl)amino]ethyl}-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
N-{2-[benzyl(methyl)amino]ethyl}-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Compound characteristics
Compound ID: | C798-1119 |
Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide |
Molecular Weight: | 473.64 |
Molecular Formula: | C27 H31 N5 O S |
Smiles: | CN(CCNC(CCSCc1cnn(c2ccccc2)c1n1cccc1)=O)Cc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.2353 |
logD: | 3.5809 |
logSw: | -4.0171 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.231 |
InChI Key: | OEDZUUBEHKPPKY-UHFFFAOYSA-N |