2-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
2-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-2251 |
| Compound Name: | 2-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C21 H17 N5 O2 S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6377 |
| logD: | 3.6377 |
| logSw: | -3.8884 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.707 |
| InChI Key: | OORXZOBYEDQGLC-UHFFFAOYSA-N |