ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3448-4045 |
| Compound Name: | ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate |
| Molecular Weight: | 510.64 |
| Molecular Formula: | C24 H26 N6 O3 S2 |
| Smiles: | CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1c(C(=O)OCC)c2CCN(C)Cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4534 |
| logD: | 0.8798 |
| logSw: | -3.9009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.731 |
| InChI Key: | LWFKKXOKDFDCCV-UHFFFAOYSA-N |