ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0284 |
| Compound Name: | ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C19 H24 N4 O5 S |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.112 |
| logD: | -0.706 |
| logSw: | -2.506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.262 |
| InChI Key: | YXOASZWAGGPMFV-UHFFFAOYSA-N |