4,5-dimethyl-2-(2-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrol-1-yl)thiophene-3-carboxylic acid
Chemical Structure Depiction of
4,5-dimethyl-2-(2-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrol-1-yl)thiophene-3-carboxylic acid
4,5-dimethyl-2-(2-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrol-1-yl)thiophene-3-carboxylic acid
Compound characteristics
Compound ID: | G548-0104 |
Compound Name: | 4,5-dimethyl-2-(2-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrol-1-yl)thiophene-3-carboxylic acid |
Molecular Weight: | 398.52 |
Molecular Formula: | C22 H26 N2 O3 S |
Smiles: | CC(C)Oc1ccc(CNCc2cccn2c2c(C(O)=O)c(C)c(C)s2)cc1 |
Stereo: | ACHIRAL |
logP: | 4.5705 |
logD: | 2.4727 |
logSw: | -4.364 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 50.813 |
InChI Key: | UJWRGMTWOKOVMP-UHFFFAOYSA-N |