methyl 4-{N-(4-chlorobenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(4-chlorobenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(4-chlorobenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V031-0682 |
| Compound Name: | methyl 4-{N-(4-chlorobenzoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 467.95 |
| Molecular Formula: | C25 H26 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | CCn1c(C)c(C(CN(Cc2ccncc2)C(c2ccc(cc2)[Cl])=O)=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0246 |
| logD: | 3.006 |
| logSw: | -3.8005 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.75 |
| InChI Key: | CGUJLTFSKZLKRG-UHFFFAOYSA-N |