4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
Chemical Structure Depiction of
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
Compound characteristics
| Compound ID: | K284-5374 |
| Compound Name: | 4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | CC(CCc1ccccc1)NC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6071 |
| logD: | 4.6 |
| logSw: | -4.4077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.288 |
| InChI Key: | WADIYRPBMJGZNY-KRWDZBQOSA-N |