2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 5471-0054 |
| Compound Name: | 2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C26 H24 N6 O S2 |
| Smiles: | C1CCc2c(C1)nc(NC(CSc1nc3c(c4ccccc4n3CCc3ccccc3)nn1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.684 |
| logD: | 5.6217 |
| logSw: | -6.0047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.302 |
| InChI Key: | YNSDUMUJZJQFBC-UHFFFAOYSA-N |