7-(3,5-dimethylpiperidine-1-carbonyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(3,5-dimethylpiperidine-1-carbonyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(3,5-dimethylpiperidine-1-carbonyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1589 |
| Compound Name: | 7-(3,5-dimethylpiperidine-1-carbonyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc2C(N(CCCN3CCCC3=O)C(Nc2c1)=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0934 |
| logD: | 2.0929 |
| logSw: | -3.177 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.324 |
| InChI Key: | ZHGUHEZFOHLGGX-UHFFFAOYSA-N |