2-(3-phenyl-1H-pyrazole-4-carbonyl)-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Chemical Structure Depiction of
2-(3-phenyl-1H-pyrazole-4-carbonyl)-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
2-(3-phenyl-1H-pyrazole-4-carbonyl)-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC89-0110 |
| Compound Name: | 2-(3-phenyl-1H-pyrazole-4-carbonyl)-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | C1CCN(C1)CC1CCS(C12CN(C2)C(c1c[nH]nc1c1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3213 |
| logD: | -0.3522 |
| logSw: | -2.4401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.185 |
| InChI Key: | DZRDIQQLOWCHJU-KRWDZBQOSA-N |