3-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0516 |
| Compound Name: | 3-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C26 H27 N5 O5 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CN1C=Nc2c3cc(c(cc3[nH]c2C1=O)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9752 |
| logD: | 0.9752 |
| logSw: | -2.2986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.037 |
| InChI Key: | DRGIYOLJZOJLFI-UHFFFAOYSA-N |