5-methyl-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
5-methyl-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
5-methyl-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | D036-1725 |
| Compound Name: | 5-methyl-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 405.36 |
| Molecular Formula: | C17 H10 F3 N5 O2 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7023 |
| logD: | 4.7023 |
| logSw: | -4.8422 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.869 |
| InChI Key: | QDOJRNCPOMCGBZ-UHFFFAOYSA-N |