4-{[6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0342 |
| Compound Name: | 4-{[6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 540.01 |
| Molecular Formula: | C27 H23 Cl F N3 O4 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2c(cccc2[Cl])F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7351 |
| logD: | 5.7351 |
| logSw: | -5.8899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.546 |
| InChI Key: | IJLKZQOKXOJRES-UHFFFAOYSA-N |