methyl 4-{3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
methyl 4-{3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
Compound characteristics
Compound ID: | 8018-1777 |
Compound Name: | methyl 4-{3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate |
Molecular Weight: | 391.87 |
Molecular Formula: | C18 H18 Cl N3 O3 S |
Smiles: | Cc1cc(NC(c2c(c3ccccc3s2)[Cl])=O)nn1CCCC(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.3604 |
logD: | 2.5505 |
logSw: | -4.1643 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.401 |
InChI Key: | WZVFQRWUSGPDNO-UHFFFAOYSA-N |