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-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K284-6030 |
| 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-methoxyphenyl)acetamide |
| Molecular Weight: | 519.53 |
| Molecular Formula: | C26 H21 N3 O7 S |
| Smiles: | COc1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc2c(c1)OCO2)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5866 |
| logD: | 4.5866 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.695 |
| InChI Key: | WEESDQXPPMPXJM-UHFFFAOYSA-N |