2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-8599 |
| Compound Name: | 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C19 H16 F6 N4 S |
| Smiles: | CC1=CC(C(C#N)=C(N)N1c1c(C#N)c2CCCCCc2s1)(C(F)(F)F)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.0457 |
| logD: | 5.0457 |
| logSw: | -4.8195 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.261 |
| InChI Key: | NNRKQRYVIKFFJM-UHFFFAOYSA-N |