ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-2575 |
| Compound Name: | ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0182 |
| logD: | 0.2208 |
| logSw: | -3.4217 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.227 |
| InChI Key: | UHPUIOAUEBDLHE-UHFFFAOYSA-N |