4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | G629-0220 |
| Compound Name: | 4-{[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide |
| Molecular Weight: | 524.06 |
| Molecular Formula: | C28 H27 Cl F N3 O2 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2[Cl])F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1906 |
| logD: | 6.1906 |
| logSw: | -5.9489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.297 |
| InChI Key: | MCPYGWDJXRLUEG-UHFFFAOYSA-N |