2-[3-(3-chlorophenyl)-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-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
2-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC89-0136 |
| Compound Name: | 2-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-8-[(pyrrolidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C21 H25 Cl N4 O3 S |
| Smiles: | C1CCN(C1)CC1CCS(C12CN(C2)C(c1cc(c2cccc(c2)[Cl])n[nH]1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6944 |
| logD: | 1.0209 |
| logSw: | -3.6197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.485 |
| InChI Key: | DVHAOYXKYVQEOD-MRXNPFEDSA-N |