3-(4-nitrophenyl)-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-(4-nitrophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-nitrophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1298 |
| Compound Name: | 3-(4-nitrophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | C1CCN(C1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0175 |
| logD: | 3.0175 |
| logSw: | -3.4247 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.258 |
| InChI Key: | OFVYFOQPSGUJLL-UHFFFAOYSA-N |