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
2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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: | C226-4217 |
| Compound Name: | 2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C15 H17 N5 O4 S2 |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1519 |
| logD: | 0.8221 |
| logSw: | -1.8179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.139 |
| InChI Key: | QTPDASSEKYAADY-UHFFFAOYSA-N |