4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2453 |
| Compound Name: | 4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C24 H32 N2 O3 |
| Smiles: | Cc1c(CNCCC2CCCCC=2)c(C(O)=O)c(C)n1Cc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8664 |
| logD: | 3.8664 |
| logSw: | -4.2424 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.687 |
| InChI Key: | ILUUTIXYAJPPOV-UHFFFAOYSA-N |