ethyl 4-{[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G856-1343 |
| Compound Name: | ethyl 4-{[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(N1CCN(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0871 |
| logD: | 2.0871 |
| logSw: | -2.5874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.898 |
| InChI Key: | BYFAOJLYLCGUAP-UHFFFAOYSA-N |