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-(2-phenylethyl)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-(2-phenylethyl)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-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | K284-6028 |
| 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-(2-phenylethyl)acetamide |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C27 H23 N3 O6 S |
| Smiles: | C(CNC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc2c(c1)OCO2)=O)OCO3)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0603 |
| logD: | 4.0603 |
| logSw: | -4.2509 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.315 |
| InChI Key: | QUHXQXJZPMKKHA-UHFFFAOYSA-N |