3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | D036-1727 |
| Compound Name: | 3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 431.39 |
| Molecular Formula: | C19 H12 F3 N5 O2 S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6244 |
| logD: | 5.6244 |
| logSw: | -6.3571 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.037 |
| InChI Key: | OWNWGZBJSPMCEU-UHFFFAOYSA-N |