1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0654 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 408.99 |
| Molecular Formula: | C21 H29 Cl N2 O2 S |
| Smiles: | CCCSCCCNCc1c(C(O)=O)c(C)n(Cc2ccc(cc2)[Cl])c1C |
| Stereo: | ACHIRAL |
| logP: | 3.953 |
| logD: | 3.953 |
| logSw: | -4.4747 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.223 |
| InChI Key: | VNJQMHBIMZETFG-UHFFFAOYSA-N |