1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0210 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C22 H20 N4 O S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(N1CCc3ccccc3C1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.0682 |
| logD: | 4.0664 |
| logSw: | -4.0448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.554 |
| InChI Key: | DFSQUDTWMODIHS-UHFFFAOYSA-N |