2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1455 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 533.62 |
| Molecular Formula: | C29 H28 F N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(CSC1=Nc2cc(ccc2C(N1c1ccc(cc1)F)=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5027 |
| logD: | 4.5026 |
| logSw: | -4.2697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.215 |
| InChI Key: | IFWOGDOGPMDGGU-UHFFFAOYSA-N |