2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C163-0280 |
| Compound Name: | 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C18 H23 N5 O4 S |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2c(C(N)=O)c3CCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3771 |
| logD: | -0.4237 |
| logSw: | -1.612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.201 |
| InChI Key: | CQSQCRYKELTUOW-UHFFFAOYSA-N |