2-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Chemical Structure Depiction of
2-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
2-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
Compound ID: | SC89-0131 |
Compound Name: | 2-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
Molecular Weight: | 444.55 |
Molecular Formula: | C22 H28 N4 O4 S |
Smiles: | COc1ccc(cc1)c1cc(C(N2CC3(C2)C(CCS3(=O)=O)CN2CCCC2)=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1376 |
logD: | 0.4641 |
logSw: | -2.9165 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.029 |
InChI Key: | JUEXDIVBIUQUGB-KRWDZBQOSA-N |