3-{[3-chloro-2-(methoxycarbonyl)-1-benzothiophen-6-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[3-chloro-2-(methoxycarbonyl)-1-benzothiophen-6-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[3-chloro-2-(methoxycarbonyl)-1-benzothiophen-6-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8235 |
| Compound Name: | 3-{[3-chloro-2-(methoxycarbonyl)-1-benzothiophen-6-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 393.8 |
| Molecular Formula: | C16 H12 Cl N3 O5 S |
| Smiles: | Cn1cc(C(O)=O)c(C(Nc2ccc3c(c(C(=O)OC)sc3c2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9728 |
| logD: | -1.216 |
| logSw: | -3.5552 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.014 |
| InChI Key: | DBMFRVHRYFAXMT-UHFFFAOYSA-N |