4-{[6-{[2-(4-methylanilino)-2-oxoethyl]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-(4-methylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0345 |
| Compound Name: | 4-{[6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(Nc2ccc(C)cc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8074 |
| logD: | 4.8074 |
| logSw: | -4.4461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.695 |
| InChI Key: | IPZNWYDLEJETKW-UHFFFAOYSA-N |