4-({[1-(adamantan-1-yl)ethyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[1-(adamantan-1-yl)ethyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[1-(adamantan-1-yl)ethyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1633 |
| Compound Name: | 4-({[1-(adamantan-1-yl)ethyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 455.04 |
| Molecular Formula: | C27 H35 Cl N2 O2 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NCc1c(C(O)=O)c(C)n(Cc2ccc(cc2)[Cl])c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6603 |
| logD: | 5.6603 |
| logSw: | -5.8806 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.097 |
| InChI Key: | ATVAJRBOARGUGJ-DPDSROAVSA-N |