N~3~,N~5~-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
Chemical Structure Depiction of
N~3~,N~5~-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
N~3~,N~5~-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | Y504-9502 |
| Compound Name: | N~3~,N~5~-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3,5-dicarboxamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C24 H22 N6 O2 S2 |
| Smiles: | Cn1c(cc(C(Nc2c(C#N)c3CCCCc3s2)=O)n1)C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0783 |
| logD: | 0.351 |
| logSw: | -4.2335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.479 |
| InChI Key: | GPNGPWCTPKCKHN-UHFFFAOYSA-N |