4-({6-[(cyanomethyl)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-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-(propan-2-yl)benzamide
4-({6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0335 |
| Compound Name: | 4-({6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-(propan-2-yl)benzamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9725 |
| logD: | 2.9725 |
| logSw: | -3.6129 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.309 |
| InChI Key: | FGYCZWNIKOHPKB-UHFFFAOYSA-N |