2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | 3456-0832 |
| Compound Name: | 2-(4-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CC(C)C12CN3CC(CN(C1)C3c1ccc(cc1)[N+]([O-])=O)(C(C)C)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.6207 |
| logD: | 3.6206 |
| logSw: | -3.7393 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.3 |
| InChI Key: | KYKCPKALZJKYQZ-UHFFFAOYSA-N |