1-{4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
1-{4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
Compound characteristics
| Compound ID: | D036-1720 |
| Compound Name: | 1-{4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-3-nitrophenyl}ethan-1-one |
| Molecular Weight: | 379.4 |
| Molecular Formula: | C18 H13 N5 O3 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)Sc1nc2c(c3ccccc3n2C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3999 |
| logD: | 3.3999 |
| logSw: | -3.9212 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.696 |
| InChI Key: | XSZJWAIIPDDWMU-UHFFFAOYSA-N |