methyl 3-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8016-0878 |
| Compound Name: | methyl 3-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C18 H15 N5 O3 S2 |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4198 |
| logD: | 2.3908 |
| logSw: | -2.775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.432 |
| InChI Key: | HQVBXQRXQLGHES-UHFFFAOYSA-N |