2,5-dimethyl-1-(4-methylphenyl)-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-(4-methylphenyl)-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-(4-methylphenyl)-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-2301 |
| Compound Name: | 2,5-dimethyl-1-(4-methylphenyl)-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 374.54 |
| Molecular Formula: | C21 H30 N2 O2 S |
| Smiles: | CCCSCCCNCc1c(C(O)=O)c(C)n(c2ccc(C)cc2)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.6223 |
| logD: | 3.6223 |
| logSw: | -3.9263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.966 |
| InChI Key: | SJYDVFPTEMIPNI-UHFFFAOYSA-N |