methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-2926 |
| Compound Name: | methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 465.42 |
| Molecular Formula: | C19 H17 F6 N3 O2 S |
| Smiles: | CC1=CC(C(C#N)=C(N)N1c1c(C(=O)OC)c2CCCCc2s1)(C(F)(F)F)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6299 |
| logD: | 4.6299 |
| logSw: | -4.6545 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.047 |
| InChI Key: | OIINQGQBVHQFQI-UHFFFAOYSA-N |