ethyl 5-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
ethyl 5-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-2569 |
| Compound Name: | ethyl 5-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 501.57 |
| Molecular Formula: | C25 H23 N7 O3 S |
| Smiles: | CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1c(cnn1c1ccccc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4789 |
| logD: | 4.4285 |
| logSw: | -4.1172 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.343 |
| InChI Key: | ZSBHNEULPXKWGD-UHFFFAOYSA-N |