5-ethyl-7-methyl-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
5-ethyl-7-methyl-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5-ethyl-7-methyl-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | D210-0022 |
| Compound Name: | 5-ethyl-7-methyl-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C17 H21 N3 O3 |
| Smiles: | CCC12CN3CC(C)(CN(C1)C3c1cccc(c1)[N+]([O-])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.5257 |
| logD: | 2.5256 |
| logSw: | -2.7044 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.3 |
| InChI Key: | QPDUMEMOZMFIRA-UHFFFAOYSA-N |