2-amino-4-(2,4,6-trimethyl-3-nitrophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-(2,4,6-trimethyl-3-nitrophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-(2,4,6-trimethyl-3-nitrophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8009-4795 |
| Compound Name: | 2-amino-4-(2,4,6-trimethyl-3-nitrophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | Cc1cc(C)c(c(C)c1C1C2CCCC=C2C(C#N)=C(C1(C#N)C#N)N)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5169 |
| logD: | 4.5167 |
| logSw: | -4.5878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.135 |
| InChI Key: | LRTDULZLVQAQPA-UHFFFAOYSA-N |