2-{[(5-methyl-8-nitro-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-methyl-8-nitro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[(5-methyl-8-nitro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4715-0047 |
| Compound Name: | 2-{[(5-methyl-8-nitro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 420.4 |
| Molecular Formula: | C19 H12 N6 O4 S |
| Smiles: | Cn1c2ccc(cc2c2c1nc(nn2)SCN1C(c2ccccc2C1=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8489 |
| logD: | 2.8489 |
| logSw: | -3.4656 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.823 |
| InChI Key: | LTEKDPGGOOIASK-UHFFFAOYSA-N |