ethyl 6-methyl-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 6-methyl-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-3304 |
| Compound Name: | ethyl 6-methyl-2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate |
| Molecular Weight: | 586.74 |
| Molecular Formula: | C30 H30 N6 O3 S2 |
| Smiles: | CCOC(c1c2CCN(C)Cc2sc1NC(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.767 |
| logD: | 2.1933 |
| logSw: | -4.7828 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.713 |
| InChI Key: | PNQWZSFIFVHOAC-UHFFFAOYSA-N |