4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)phenol
Chemical Structure Depiction of
4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)phenol
4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)phenol
Compound characteristics
| Compound ID: | 3473-3220 |
| Compound Name: | 4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)phenol |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C16 H20 N4 O5 |
| Smiles: | CC1(C)C2(CN3CC1(CN(C2)C3c1ccc(cc1)O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8307 |
| logD: | 1.8289 |
| logSw: | -1.6187 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.399 |
| InChI Key: | KZCCEYSODQPSMM-UHFFFAOYSA-N |