ethyl 1,3,5-trimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1,3,5-trimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
ethyl 1,3,5-trimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V026-7135 |
| Compound Name: | ethyl 1,3,5-trimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C23 H31 N3 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(CN(Cc2cccnc2)C(CC(C)C)=O)=O)c(C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1977 |
| logD: | 2.1976 |
| logSw: | -2.0621 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.249 |
| InChI Key: | NABHFIVQVAFAQO-UHFFFAOYSA-N |