7-{[4-(4-benzylpiperidine-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-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5402 |
| Compound Name: | 7-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C29 H27 N3 O4 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2349 |
| logD: | 5.2278 |
| logSw: | -5.5058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.81 |
| InChI Key: | PKTFOSAUQWAYLH-UHFFFAOYSA-N |