3-methyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-methyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-methyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0728 |
| Compound Name: | 3-methyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | CN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7805 |
| logD: | 1.7805 |
| logSw: | -2.419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.525 |
| InChI Key: | GCDTVRNMVNHBFM-UHFFFAOYSA-N |