ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-7159 |
| Compound Name: | ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 529.64 |
| Molecular Formula: | C27 H23 N5 O3 S2 |
| Smiles: | CCOC(c1cc(c2ccccc2)sc1NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9114 |
| logD: | 5.8999 |
| logSw: | -5.7272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.383 |
| InChI Key: | AAWBVUBELCBFLN-UHFFFAOYSA-N |