4-{[8-oxo-6-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[8-oxo-6-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[8-oxo-6-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0358 |
| Compound Name: | 4-{[8-oxo-6-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CC(C)NC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(NC(C)C)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1436 |
| logD: | 3.1436 |
| logSw: | -3.6084 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.263 |
| InChI Key: | YJEVHUGWUWGTDF-UHFFFAOYSA-N |