propan-2-yl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3805 |
| Compound Name: | propan-2-yl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C19 H22 F3 N3 O3 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(c1cc(C(F)(F)F)nn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5608 |
| logD: | 1.0387 |
| logSw: | -4.4828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.324 |
| InChI Key: | LQAOTALGWLIYRU-UHFFFAOYSA-N |