9-(2H-1,3-benzodioxol-5-yl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
9-(2H-1,3-benzodioxol-5-yl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
Compound characteristics
| Compound ID: | 8538-0077 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C18 H18 N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)Nc3c(N2)non3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3184 |
| logD: | 1.2517 |
| logSw: | -3.5339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.633 |
| InChI Key: | YTJBSXJQYXHSOV-HNNXBMFYSA-N |