2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C145-0473 |
| Compound Name: | 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C24 H23 N5 O4 S |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5668 |
| logD: | 3.5668 |
| logSw: | -3.8765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.892 |
| InChI Key: | DOGUQGHDZRPDLR-UHFFFAOYSA-N |