methyl 3-chloro-6-{[5-(3-methoxyphenyl)-1H-pyrazole-3-carbonyl]amino}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-chloro-6-{[5-(3-methoxyphenyl)-1H-pyrazole-3-carbonyl]amino}-1-benzothiophene-2-carboxylate
methyl 3-chloro-6-{[5-(3-methoxyphenyl)-1H-pyrazole-3-carbonyl]amino}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y501-7569 |
| Compound Name: | methyl 3-chloro-6-{[5-(3-methoxyphenyl)-1H-pyrazole-3-carbonyl]amino}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C21 H16 Cl N3 O4 S |
| Smiles: | COC(c1c(c2ccc(cc2s1)NC(c1cc(c2cccc(c2)OC)[nH]n1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3485 |
| logD: | 5.348 |
| logSw: | -6.1423 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.284 |
| InChI Key: | DXSREIVKJBFFES-UHFFFAOYSA-N |