methyl 4-[N-(3-ethoxypropyl)-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(3-ethoxypropyl)-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(3-ethoxypropyl)-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-4381 |
| Compound Name: | methyl 4-[N-(3-ethoxypropyl)-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C23 H29 F N2 O5 |
| Smiles: | CCOCCCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1047 |
| logD: | 3.1047 |
| logSw: | -3.1925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.663 |
| InChI Key: | ORRDOGCGMJLUOW-INIZCTEOSA-N |