4-({3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}methoxy)benzonitrile
Chemical Structure Depiction of
4-({3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}methoxy)benzonitrile
4-({3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}methoxy)benzonitrile
Compound characteristics
| Compound ID: | Y509-0905 |
| Compound Name: | 4-({3-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}methoxy)benzonitrile |
| Molecular Weight: | 498.51 |
| Molecular Formula: | C26 H16 F2 N6 O S |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(c4cccc(COc5ccc(C#N)cc5)c4)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.6883 |
| logD: | 5.6847 |
| logSw: | -6.0118 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.504 |
| InChI Key: | VHSNAXPUNYMJQO-UHFFFAOYSA-N |