3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F797-0190 |
| Compound Name: | 3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C23 H22 N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCC(N3CCc4ccccc4C3)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.7398 |
| logD: | 2.7398 |
| logSw: | -3.1222 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.33 |
| InChI Key: | GCWHRTDLBSFZIG-UHFFFAOYSA-N |