N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-3262 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | Cn1c(ccn1)C(Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5451 |
| logD: | -0.1295 |
| logSw: | -2.8817 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.082 |
| InChI Key: | VOCGYLZDAXBCJO-UHFFFAOYSA-N |