3-[2-(4-benzylpiperidin-1-yl)ethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperidin-1-yl)ethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-benzylpiperidin-1-yl)ethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0338 |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)ethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C26 H30 N4 O3 |
| Smiles: | COc1cc2c3c(C(N(CCN4CCC(CC4)Cc4ccccc4)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3496 |
| logD: | 2.8996 |
| logSw: | -3.6757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.247 |
| InChI Key: | WOCKYSMIPKBIQC-UHFFFAOYSA-N |