2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C226-4330 |
| Compound Name: | 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C18 H22 Br N5 O4 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(CCCn3c(C)c(c(n3)[N+]([O-])=O)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3186 |
| logD: | 0.5178 |
| logSw: | -2.1759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.159 |
| InChI Key: | XBQHODQABCWXLN-SECBINFHSA-N |