diethyl {[3,3,4-tricyano-10-iminooctahydro-8a,4-(epoxymethano)-1-benzopyran-2-yl]methyl}phosphonate
Chemical Structure Depiction of
diethyl {[3,3,4-tricyano-10-iminooctahydro-8a,4-(epoxymethano)-1-benzopyran-2-yl]methyl}phosphonate
diethyl {[3,3,4-tricyano-10-iminooctahydro-8a,4-(epoxymethano)-1-benzopyran-2-yl]methyl}phosphonate
Compound characteristics
| Compound ID: | 8019-6248 |
| Compound Name: | diethyl {[3,3,4-tricyano-10-iminooctahydro-8a,4-(epoxymethano)-1-benzopyran-2-yl]methyl}phosphonate |
| Molecular Weight: | 406.38 |
| Molecular Formula: | C18 H23 N4 O5 P |
| Smiles: | CCOP(CC1C(C#N)(C#N)C2(C#N)C3CCCCC3(O1)OC2=N)(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8747 |
| logD: | 0.8747 |
| logSw: | -1.1854 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.424 |
| InChI Key: | QRIHTVYKCGPMRX-UHFFFAOYSA-N |