7-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5198 |
| Compound Name: | 7-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCCCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7158 |
| logD: | 4.6939 |
| logSw: | -4.2609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.764 |
| InChI Key: | ONCNPYUQZKUFPN-UHFFFAOYSA-N |