1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0462 |
| Compound Name: | 1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 392.53 |
| Molecular Formula: | C21 H29 F N2 O2 S |
| Smiles: | CCCSCCCNCc1c(C(O)=O)c(C)n(Cc2cccc(c2)F)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.4805 |
| logD: | 3.4805 |
| logSw: | -3.9409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.223 |
| InChI Key: | KZKZQRRYACSVSZ-UHFFFAOYSA-N |