methyl 4-{[7-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
methyl 4-{[7-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
methyl 4-{[7-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | F067-0590 |
| Compound Name: | methyl 4-{[7-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 499.56 |
| Molecular Formula: | C25 H26 F N3 O5 S |
| Smiles: | CC(C)CN1C(=Nc2cc(ccc2C1=O)C(NCc1ccc(cc1)F)=O)SCC(CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9975 |
| logD: | 2.9973 |
| logSw: | -3.5093 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.062 |
| InChI Key: | LXJWWFYNCUSUKB-UHFFFAOYSA-N |