methyl 2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0739 |
| Compound Name: | methyl 2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 432.38 |
| Molecular Formula: | C16 H15 F3 N4 O5 S |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(Nc1c(C(=O)OC)c2CCCc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7159 |
| logD: | 0.3488 |
| logSw: | -3.1074 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.898 |
| InChI Key: | APAZAVKCCURGDP-UHFFFAOYSA-N |