4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2702 |
| Compound Name: | 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 365.25 |
| Molecular Formula: | C14 H13 Br N4 O S |
| Smiles: | Cn1cc(c(C(Nc2c(C#N)c3CCCCc3s2)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7767 |
| logD: | 0.0419 |
| logSw: | -3.182 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.456 |
| InChI Key: | KYFFJFZOJDOXAC-UHFFFAOYSA-N |