3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0092 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C24 H27 N5 O |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCN3CCN(CC3)Cc3ccccc3)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.4835 |
| logD: | 2.3449 |
| logSw: | -2.8179 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.799 |
| InChI Key: | CTPFWDQKSFUEGV-UHFFFAOYSA-N |