5-butyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
5-butyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5-butyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | D171-0161 |
| Compound Name: | 5-butyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | CCCCC12CN3CC(C)(CN(C1)C3c1ccc(cc1)[N+]([O-])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.5857 |
| logD: | 3.5856 |
| logSw: | -3.5854 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.3 |
| InChI Key: | OSOIBLBETUGXCD-UHFFFAOYSA-N |