7-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5396 |
| Compound Name: | 7-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | C1CCN(CC1)C1CCN(CC1)C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6125 |
| logD: | 0.1731 |
| logSw: | -3.8115 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.175 |
| InChI Key: | UYEQRVQOSNKORX-UHFFFAOYSA-N |