ethyl 2-{2-[(5-butyl-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-butyl-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-butyl-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: | 6290-0098 |
| Compound Name: | ethyl 2-{2-[(5-butyl-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: | 538.69 |
| Molecular Formula: | C26 H30 N6 O3 S2 |
| Smiles: | CCCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1c(C(=O)OCC)c2CCN(C)Cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.329 |
| logD: | 1.7554 |
| logSw: | -4.1154 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.985 |
| InChI Key: | AMGWHUCQVMQEEC-UHFFFAOYSA-N |