1-[2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
1-[2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0343 |
| Compound Name: | 1-[2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C25 H24 F2 N4 O3 S |
| Smiles: | C=CCN1C(=Nc2cc(ccc2C1=O)C(N1CCC(CC1)C(N)=O)=O)SCc1cc(ccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 2.6735 |
| logD: | 2.6735 |
| logSw: | -3.158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.728 |
| InChI Key: | GSELIDWGETWZJK-UHFFFAOYSA-N |