6-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Chemical Structure Depiction of
6-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
6-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Compound characteristics
| Compound ID: | F279-0517 |
| Compound Name: | 6-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C19 H17 Br N4 O4 |
| Smiles: | CC1c2c(C(N(Cc3c(C)oc(c4cc(ccc4OC)[Br])n3)N=1)=O)noc2C |
| Stereo: | ACHIRAL |
| logP: | 3.0815 |
| logD: | 3.0815 |
| logSw: | -3.1912 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.715 |
| InChI Key: | NNTWBMFMEGBMLV-UHFFFAOYSA-N |