2-(3-nitrophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
2-(3-nitrophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
2-(3-nitrophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | 4386-4362 |
| Compound Name: | 2-(3-nitrophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CCCC12CN3CC(CCC)(CN(C1)C3c1cccc(c1)[N+]([O-])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9984 |
| logD: | 3.9984 |
| logSw: | -4.0734 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.3 |
| InChI Key: | RKRWQTZVAMSZIY-UHFFFAOYSA-N |