3-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-8-fluoro-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}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0311 |
| Compound Name: | 3-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C24 H22 F N5 O3 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4461 |
| logD: | 1.4461 |
| logSw: | -2.351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.777 |
| InChI Key: | NXWOXYDXONYOEY-UHFFFAOYSA-N |