ethyl 4-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8012-0025 |
| Compound Name: | ethyl 4-(2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C28 H25 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6267 |
| logD: | 5.6266 |
| logSw: | -5.7193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.588 |
| InChI Key: | UXSOFRCBIRXUBW-UHFFFAOYSA-N |