ethyl 2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-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)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1328 |
| Compound Name: | ethyl 2-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 571.72 |
| Molecular Formula: | C30 H29 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1171 |
| logD: | 4.0659 |
| logSw: | -5.7067 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.303 |
| InChI Key: | JFDADNOMQZCOTB-UHFFFAOYSA-N |