1-(2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0443 |
| Compound Name: | 1-(2-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 528.62 |
| Molecular Formula: | C27 H30 F2 N4 O3 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCC(CC1)C(N)=O)=O)SCc1cc(ccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 4.0986 |
| logD: | 4.0986 |
| logSw: | -4.2076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.728 |
| InChI Key: | MLABOPHYGGAXHK-UHFFFAOYSA-N |