9-(3-bromo-4-hydroxy-5-methoxyphenyl)-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-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
9-(3-bromo-4-hydroxy-5-methoxyphenyl)-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: | 8538-0035 |
| Compound Name: | 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one |
| Molecular Weight: | 435.28 |
| Molecular Formula: | C18 H19 Br N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)[Br])O)OC)Nc3c(N2)non3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.299 |
| logD: | 1.2324 |
| logSw: | -3.4425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.627 |
| InChI Key: | HYSINCNVHPOXIL-AWEZNQCLSA-N |