N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2258 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C14 H13 N5 O3 S |
| Smiles: | Cn1cc(c(C(Nc2c(C#N)c3CCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0329 |
| logD: | -2.2113 |
| logSw: | -2.6005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.537 |
| InChI Key: | NWLZFAZRZCUAEA-UHFFFAOYSA-N |