1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | M060-0105 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C21 H18 N4 O S |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5995 |
| logD: | 3.5985 |
| logSw: | -3.8225 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.554 |
| InChI Key: | UCTAJROAAWTRSE-UHFFFAOYSA-N |