5-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L984-0245 |
| Compound Name: | 5-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 479.29 |
| Molecular Formula: | C21 H15 Br N6 O3 |
| Smiles: | COc1ccc(cc1)n1c2c(cn1)C(N(Cc1nc(c3cccc(c3)[Br])no1)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4502 |
| logD: | 4.4502 |
| logSw: | -4.4446 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.176 |
| InChI Key: | IVCPNPQEBXUZTE-UHFFFAOYSA-N |