1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)piperidine-3-carboxamide
1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)piperidine-3-carboxamide
Compound characteristics
Compound ID: | Y502-4696 |
Compound Name: | 1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)piperidine-3-carboxamide |
Molecular Weight: | 458.54 |
Molecular Formula: | C22 H26 N4 O5 S |
Smiles: | CCn1cc(c(C)n1)S(N1CCCC(C1)C(Nc1ccc2C(C)=CC(=O)Oc2c1)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.2163 |
logD: | 1.2115 |
logSw: | -2.4684 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.236 |
InChI Key: | LDOVNBSDWHHZPY-INIZCTEOSA-N |