ethyl 4-{[(3-methyl-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-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G856-0734 |
| Compound Name: | ethyl 4-{[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C20 H23 N5 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5373 |
| logD: | 1.5373 |
| logSw: | -2.4329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.939 |
| InChI Key: | XZUOAYHAZIBAIG-UHFFFAOYSA-N |