2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1368 |
| Compound Name: | 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3706 |
| logD: | 3.3705 |
| logSw: | -3.5181 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.632 |
| InChI Key: | YKRZCGYOGDQZDI-UHFFFAOYSA-N |