methyl 3,5-dimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V004-9749 |
| Compound Name: | methyl 3,5-dimethyl-4-{N-(3-methylbutanoyl)-N-[(pyridin-4-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)Cc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9785 |
| logD: | 1.9599 |
| logSw: | -2.3142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.753 |
| InChI Key: | IHVGOXYWAWLHOY-UHFFFAOYSA-N |