5-[(4-nitrophenyl)methyl]-3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
5-[(4-nitrophenyl)methyl]-3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
5-[(4-nitrophenyl)methyl]-3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | Y020-5299 |
| Compound Name: | 5-[(4-nitrophenyl)methyl]-3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 472.48 |
| Molecular Formula: | C23 H16 N6 O4 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)n1c2ccccc2c2c1nc(nn2)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0517 |
| logD: | 5.0517 |
| logSw: | -5.1464 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.47 |
| InChI Key: | HTLIYDYJMGVNJO-UHFFFAOYSA-N |