3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0428 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | Cn1c2C(N(CCN3CCN(CC3)Cc3ccccc3)C=Nc2c2cc(ccc12)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2952 |
| logD: | 2.1566 |
| logSw: | -2.7106 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.055 |
| InChI Key: | QICCRGDTCBIGHK-UHFFFAOYSA-N |