ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8012-3216 |
| Compound Name: | ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6028 |
| logD: | 3.6027 |
| logSw: | -3.7632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.691 |
| InChI Key: | FIVXEDXPMJFFPE-UHFFFAOYSA-N |