6-methyl-2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
6-methyl-2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-methyl-2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C226-4216 |
| Compound Name: | 6-methyl-2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C16 H19 N5 O4 S2 |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(CSc3c(c(C)n[nH]3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5858 |
| logD: | 1.256 |
| logSw: | -2.2956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.139 |
| InChI Key: | VSUOQONPLVMPEN-SSDOTTSWSA-N |