ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0426 |
| Compound Name: | ethyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C16 H17 Cl N4 O5 S |
| Smiles: | CCOC(c1c2CCCc2sc1NC(Cn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8397 |
| logD: | 0.4726 |
| logSw: | -4.1403 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.242 |
| InChI Key: | AYJHKKWVYOSEBQ-UHFFFAOYSA-N |