propan-2-yl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0168 |
| Compound Name: | propan-2-yl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7734 |
| logD: | -0.024 |
| logSw: | -3.2094 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.288 |
| InChI Key: | SBBDBVMOFHKJKH-UHFFFAOYSA-N |