2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0988 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6458 |
| logD: | 4.6458 |
| logSw: | -4.2997 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.718 |
| InChI Key: | UKVIULSSWOQQJY-UHFFFAOYSA-N |