ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8013-2813 |
| Compound Name: | ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7706 |
| logD: | 4.7705 |
| logSw: | -4.619 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.86 |
| InChI Key: | VSJGNARCFAYJHI-UHFFFAOYSA-N |