methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y504-4841 |
| Compound Name: | methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 519.56 |
| Molecular Formula: | C24 H20 F3 N3 O3 S2 |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1cc2c(C(F)(F)F)nn(c3ccccc3)c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2913 |
| logD: | 4.1059 |
| logSw: | -5.5621 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.518 |
| InChI Key: | BGFXJZRUSYPKMU-UHFFFAOYSA-N |