methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-5377 |
| Compound Name: | methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 479.44 |
| Molecular Formula: | C20 H19 F6 N3 O2 S |
| Smiles: | CC1=CC(C(C#N)=C(N)N1c1c(C(=O)OC)c2CCCCCc2s1)(C(F)(F)F)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1258 |
| logD: | 5.1258 |
| logSw: | -4.9476 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.378 |
| InChI Key: | WVQYFMUFAUWMNY-UHFFFAOYSA-N |