3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 4486-0058 |
| Compound Name: | 3-{[(4-nitrophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 337.36 |
| Molecular Formula: | C16 H11 N5 O2 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9495 |
| logD: | 2.9495 |
| logSw: | -3.4029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.916 |
| InChI Key: | LBEULDKEQQDTAD-UHFFFAOYSA-N |