8-bromo-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-bromo-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-bromo-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F796-0405 |
| Compound Name: | 8-bromo-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C21 H17 Br N4 O2 |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7601 |
| logD: | 2.7601 |
| logSw: | -3.1911 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.352 |
| InChI Key: | ZQHFWPGGKTTWAB-UHFFFAOYSA-N |