propan-2-yl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y504-4840 |
| Compound Name: | propan-2-yl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 533.59 |
| Molecular Formula: | C25 H22 F3 N3 O3 S2 |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1cc2c(C(F)(F)F)nn(c3ccccc3)c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6879 |
| logD: | 4.5025 |
| logSw: | -5.7366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.445 |
| InChI Key: | XYYSVBVQVNANDL-UHFFFAOYSA-N |