7-{[4-(4-phenylpiperazine-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-phenylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5432 |
| Compound Name: | 7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8993 |
| logD: | 3.8923 |
| logSw: | -4.0732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.342 |
| InChI Key: | IHCCCMNEDYKTIF-UHFFFAOYSA-N |