ethyl 5-{2-[(5-methyl-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-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
ethyl 5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-2809 |
| Compound Name: | ethyl 5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C24 H21 N7 O3 S |
| Smiles: | CCOC(c1cnn(c2ccccc2)c1NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7685 |
| logD: | 3.7182 |
| logSw: | -3.8097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.428 |
| InChI Key: | UTNRHRWQLTZPNE-UHFFFAOYSA-N |