10-imino-2-(3,4,5-trimethoxyphenyl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
10-imino-2-(3,4,5-trimethoxyphenyl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
10-imino-2-(3,4,5-trimethoxyphenyl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8015-8904 |
| Compound Name: | 10-imino-2-(3,4,5-trimethoxyphenyl)tetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H22 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)(C#N)C2(C#N)C3CCCCC3(O1)OC2=N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.476 |
| logD: | 2.476 |
| logSw: | -2.561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.992 |
| InChI Key: | IAWPCTGRNYZZJU-UHFFFAOYSA-N |