5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | 4123-0370 |
| Compound Name: | 5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C16 H21 N3 O4 |
| Smiles: | CCC12CN3CC(CC)(CN(C1)C3c1ccc([N+]([O-])=O)o1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.1277 |
| logD: | 2.1277 |
| logSw: | -2.456 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.578 |
| InChI Key: | AECYXACDIKKMNV-UHFFFAOYSA-N |