2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C163-0288 |
| Compound Name: | 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C19 H25 N5 O4 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(CCCn3c(C)c(c(C)n3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.811 |
| logD: | 0.0103 |
| logSw: | -1.9411 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.201 |
| InChI Key: | RLLMWDVIVUZFRQ-SNVBAGLBSA-N |