1-benzyl-4-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-4-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-benzyl-4-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0465 |
| Compound Name: | 1-benzyl-4-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 414.61 |
| Molecular Formula: | C24 H34 N2 O2 S |
| Smiles: | Cc1c(CNCCCSC2CCCCC2)c(C(O)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4673 |
| logD: | 4.4673 |
| logSw: | -4.2591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.144 |
| InChI Key: | RCQQWFHMKCHEKY-UHFFFAOYSA-N |