2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1363 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-3-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 507.58 |
| Molecular Formula: | C27 H26 F N3 O4 S |
| Smiles: | CC(C)CCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccco1)=O)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.867 |
| logD: | 4.8669 |
| logSw: | -4.4912 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.43 |
| InChI Key: | JJOXZPWVPFHEGK-UHFFFAOYSA-N |