3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F797-0307 |
| Compound Name: | 3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C25 H24 F N5 O4 |
| Smiles: | C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)F)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5804 |
| logD: | 1.2361 |
| logSw: | -2.3548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.324 |
| InChI Key: | ACCXWNZJOBSLDZ-UHFFFAOYSA-N |