2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-4375 |
| Compound Name: | 2-({4-oxo-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 518.56 |
| Molecular Formula: | C25 H25 F3 N4 O3 S |
| Smiles: | C1CCN(C1)C(CCCN1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5847 |
| logD: | 3.5844 |
| logSw: | -3.9562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.657 |
| InChI Key: | XHMRYLUULCZCMM-UHFFFAOYSA-N |