2-{[2-oxo-2-(4-phenylpiperazin-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-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0817 |
| Compound Name: | 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C28 H25 N5 O2 S |
| Smiles: | C1CN(CCN1C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8245 |
| logD: | 3.8245 |
| logSw: | -4.1968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.771 |
| InChI Key: | WOVORCLTHQFVFU-UHFFFAOYSA-N |