N-{4-acetyl-5-methyl-2-oxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{4-acetyl-5-methyl-2-oxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl}-4-tert-butylbenzamide
N-{4-acetyl-5-methyl-2-oxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 8602-0403 |
| Compound Name: | N-{4-acetyl-5-methyl-2-oxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl}-4-tert-butylbenzamide |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C24 H29 F3 N2 O4 |
| Smiles: | CC1=C(C(C)=O)C(C(N1CC1CCCO1)=O)(C(F)(F)F)NC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7604 |
| logD: | -0.7917 |
| logSw: | -3.8958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.454 |
| InChI Key: | PVFXMFCZRGUKQY-UHFFFAOYSA-N |