4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | D440-0238 |
| Compound Name: | 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 398.34 |
| Molecular Formula: | C16 H17 F3 N6 O3 |
| Smiles: | C1CN(CCN(C1)C(Nc1cccc(c1)C(F)(F)F)=O)C(c1c(N)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2026 |
| logD: | 2.2026 |
| logSw: | -3.0175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.58 |
| InChI Key: | LZTGVQNBAGEDCW-UHFFFAOYSA-N |