2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1350 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 497.63 |
| Molecular Formula: | C27 H32 F N3 O3 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(CCC(C)C)C(=Nc2c1)SCC(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1428 |
| logD: | 5.1428 |
| logSw: | -4.9321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.794 |
| InChI Key: | JGTNUNHEPWEEGG-UHFFFAOYSA-N |