3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F797-0504 |
| Compound Name: | 3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C27 H31 N5 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCN1C=Nc2c3cc(c(cc3[nH]c2C1=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7152 |
| logD: | 2.7151 |
| logSw: | -3.0412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.888 |
| InChI Key: | XPFQKUBIZUAGRQ-UHFFFAOYSA-N |