6-methyl-2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
6-methyl-2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-methyl-2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C163-0175 |
| Compound Name: | 6-methyl-2-[4-(5-methyl-3-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: | CC1CCc2c(C(N)=O)c(NC(CCCn3c(C)cc(n3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5519 |
| logD: | -0.2489 |
| logSw: | -2.146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.914 |
| InChI Key: | OFMVFPYIPLXWTQ-SNVBAGLBSA-N |