ethyl 4-[N-cyclopropyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-cyclopropyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-cyclopropyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V007-5492 |
| Compound Name: | ethyl 4-[N-cyclopropyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C22 H25 F N2 O4 |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(C2CC2)C(c2cccc(c2)F)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.516 |
| logD: | 3.516 |
| logSw: | -3.8483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.699 |
| InChI Key: | IJGMFARXHXQEGX-AWEZNQCLSA-N |