6-sulfanylidene-7-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
6-sulfanylidene-7-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
6-sulfanylidene-7-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5438 |
| Compound Name: | 6-sulfanylidene-7-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 568.57 |
| Molecular Formula: | C28 H23 F3 N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7001 |
| logD: | 4.693 |
| logSw: | -4.5556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.342 |
| InChI Key: | DHWBXQKYAGTZAN-UHFFFAOYSA-N |