6,6-dimethyl-5,7-dinitro-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Chemical Structure Depiction of
6,6-dimethyl-5,7-dinitro-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decane
6,6-dimethyl-5,7-dinitro-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Compound characteristics
| Compound ID: | 4036-0056 |
| Compound Name: | 6,6-dimethyl-5,7-dinitro-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,3-diazatricyclo[3.3.1.1~3,7~]decane |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C19 H24 N4 O5 |
| Smiles: | CC1(C)C2(CN3CC1(CN(C2)C3c1ccc(cc1)OCC=C)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9836 |
| logD: | 2.9836 |
| logSw: | -3.2138 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.2 |
| InChI Key: | XNDZGSXFQBRREG-UHFFFAOYSA-N |