N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2263 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 345.38 |
| Molecular Formula: | C15 H15 N5 O3 S |
| Smiles: | Cn1cc(c(C(Nc2c(C#N)c3CCCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5288 |
| logD: | -1.7154 |
| logSw: | -2.7829 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.868 |
| InChI Key: | PMPSGXSJIVKDPE-UHFFFAOYSA-N |