ethyl 2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1327 |
| Compound Name: | ethyl 2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C29 H27 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7069 |
| logD: | 3.6352 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.669 |
| InChI Key: | CCRZBOHNYSVUBN-UHFFFAOYSA-N |