3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F797-0199 |
| Compound Name: | 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCC(N3CCN(CC3)Cc3ccccc3)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.0985 |
| logD: | 2.0656 |
| logSw: | -2.8382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.208 |
| InChI Key: | SOCDNZXYJOUHGL-UHFFFAOYSA-N |