ethyl 4-({(adamantan-1-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(adamantan-1-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(adamantan-1-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G799-0048 |
| Compound Name: | ethyl 4-({(adamantan-1-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C29 H39 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)C(NC23CC4CC(CC(C4)C3)C2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0614 |
| logD: | 6.0614 |
| logSw: | -5.5139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.752 |
| InChI Key: | IIXUZPWPLMSLFZ-UHFFFAOYSA-N |