3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0214 |
| Compound Name: | 3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | Cc1ccc(c(C)c1)N1CCN(CC1)C(CN1C=Nc2c3cc(C)ccc3[nH]c2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5096 |
| logD: | 3.5091 |
| logSw: | -3.8081 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.649 |
| InChI Key: | VZKPIDXGPFSRBK-UHFFFAOYSA-N |