5,7-diethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
5,7-diethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5,7-diethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | 3379-0135 |
| Compound Name: | 5,7-diethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | CCC12CN3CC(CC)(CN(C1)C3c1ccc(cc1)[N+]([O-])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.0084 |
| logD: | 3.0083 |
| logSw: | -3.3047 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.3 |
| InChI Key: | YKNMTIQUNZJHJK-UHFFFAOYSA-N |