2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C163-0167 |
| Compound Name: | 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C17 H21 N5 O4 S |
| Smiles: | Cc1cc(nn1CCCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.118 |
| logD: | -0.6828 |
| logSw: | -2.1971 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.914 |
| InChI Key: | UKJIJPQKWZFDDP-UHFFFAOYSA-N |