4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | G629-0274 |
| Compound Name: | 4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 538.57 |
| Molecular Formula: | C27 H24 F2 N4 O4 S |
| Smiles: | COCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccc(cc2F)F)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0712 |
| logD: | 3.0662 |
| logSw: | -3.6494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.091 |
| InChI Key: | HLXZZRODXQRKAU-UHFFFAOYSA-N |