2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | 8016-7291 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 424.27 |
| Molecular Formula: | C15 H14 Br N5 O3 S |
| Smiles: | Cc1c(c(nn1CC(Nc1c(C#N)c2CCCCc2s1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8369 |
| logD: | 1.5018 |
| logSw: | -3.2639 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.178 |
| InChI Key: | KORNIBIXCGUGDU-UHFFFAOYSA-N |