ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9744 |
| Compound Name: | ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C25 H21 N5 O3 S2 |
| Smiles: | CCOC(c1cc(c2ccccc2)sc1NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9892 |
| logD: | 4.9777 |
| logSw: | -4.7882 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.214 |
| InChI Key: | UMYGLZPKAMQEKM-UHFFFAOYSA-N |