4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y508-5185 |
| Compound Name: | 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 320.8 |
| Molecular Formula: | C14 H13 Cl N4 O S |
| Smiles: | Cn1c(C(Nc2c(C#N)c3CCCCc3s2)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8049 |
| logD: | -0.8084 |
| logSw: | -3.7812 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.617 |
| InChI Key: | BTKNFWKTVROMLZ-UHFFFAOYSA-N |