8-bromo-3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-bromo-3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-bromo-3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0422 |
| Compound Name: | 8-bromo-3-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 494.39 |
| Molecular Formula: | C24 H24 Br N5 O2 |
| Smiles: | Cc1ccc(c(C)c1)N1CCN(CC1)C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7755 |
| logD: | 3.775 |
| logSw: | -4.0177 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.649 |
| InChI Key: | DEPOQLBHXQQGGO-UHFFFAOYSA-N |