3-chloro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
3-chloro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y500-7904 |
| Compound Name: | 3-chloro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 333.84 |
| Molecular Formula: | C16 H16 Cl N3 O S |
| Smiles: | Cc1c(CNC(c2c(c3ccccc3s2)[Cl])=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2154 |
| logD: | 3.2154 |
| logSw: | -3.9505 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.238 |
| InChI Key: | VXSAYUQOTNYUQZ-UHFFFAOYSA-N |