4,5-dimethyl-2-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]thiophene-3-carboxylic acid
Chemical Structure Depiction of
4,5-dimethyl-2-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]thiophene-3-carboxylic acid
4,5-dimethyl-2-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]thiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | C795-1663 |
| Compound Name: | 4,5-dimethyl-2-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]thiophene-3-carboxylic acid |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | Cc1ccc(CNCc2cccn2c2c(C(O)=O)c(C)c(C)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3273 |
| logD: | 4.3273 |
| logSw: | -4.2657 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.011 |
| InChI Key: | SMFVHADWJMWPGU-UHFFFAOYSA-N |