3,7,7-trimethyl-1-(pyridin-2-yl)-7,8-dihydro-1H-oxepino[4,3-c]pyrazole-4,6-dione
Chemical Structure Depiction of
3,7,7-trimethyl-1-(pyridin-2-yl)-7,8-dihydro-1H-oxepino[4,3-c]pyrazole-4,6-dione
3,7,7-trimethyl-1-(pyridin-2-yl)-7,8-dihydro-1H-oxepino[4,3-c]pyrazole-4,6-dione
Compound characteristics
| Compound ID: | 8015-7277 |
| Compound Name: | 3,7,7-trimethyl-1-(pyridin-2-yl)-7,8-dihydro-1H-oxepino[4,3-c]pyrazole-4,6-dione |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C15 H15 N3 O3 |
| Smiles: | Cc1c2C(=O)OC(C(C)(C)Cc2n(c2ccccn2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7495 |
| logD: | 1.7493 |
| logSw: | -1.7942 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.242 |
| InChI Key: | WZMJFHBOKUUPKE-UHFFFAOYSA-N |