4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepane-1-carboxamide
4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | S990-0607 |
| Compound Name: | 4-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 441.41 |
| Molecular Formula: | C19 H22 F3 N5 O4 |
| Smiles: | CC(N1CCN(CCC1c1nc(C)no1)C(NCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1994 |
| logD: | 2.1994 |
| logSw: | -2.5677 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.477 |
| InChI Key: | LHNGQIWXVCZOEB-MRXNPFEDSA-N |