4-{[6-{[(3-chlorophenyl)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-{[(3-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[6-{[(3-chlorophenyl)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: | G629-0338 |
| Compound Name: | 4-{[6-{[(3-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 522.02 |
| Molecular Formula: | C27 H24 Cl N3 O4 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2cccc(c2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6415 |
| logD: | 5.6415 |
| logSw: | -5.807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.546 |
| InChI Key: | YXLWVNMXBLCQAO-UHFFFAOYSA-N |