ethyl 4-{[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G856-0818 |
| Compound Name: | ethyl 4-{[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.727 |
| logD: | 2.727 |
| logSw: | -3.0172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.29 |
| InChI Key: | XAAFMKZAZSZOAD-UHFFFAOYSA-N |