2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0812 |
| Compound Name: | 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | C1CCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1892 |
| logD: | 3.1892 |
| logSw: | -3.2551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.51 |
| InChI Key: | OHKTWFHDALUOPU-UHFFFAOYSA-N |