3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8013-1236 |
| Compound Name: | 3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 438.51 |
| Molecular Formula: | C24 H18 N6 O S |
| Smiles: | C(Cn1c2ccccc2c2c1nc(nn2)SCc1ccc2c(c1)non2)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5481 |
| logD: | 5.5481 |
| logSw: | -6.2449 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.005 |
| InChI Key: | TUBYATAHDVEIRP-UHFFFAOYSA-N |