2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-6031 |
| Compound Name: | 2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C28 H25 N3 O6 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc2c(c1)OCO2)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9424 |
| logD: | 5.9424 |
| logSw: | -5.4864 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.151 |
| InChI Key: | MTTAEIILCXDXOZ-UHFFFAOYSA-N |