4-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-1160 |
| Compound Name: | 4-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C24 H34 N2 O3 |
| Smiles: | Cc1c(CNC2CCCCCCC2)c(C(O)=O)c(C)n1Cc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8767 |
| logD: | 4.8767 |
| logSw: | -4.5138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.501 |
| InChI Key: | OVRYDYGIYUQWCE-UHFFFAOYSA-N |