7-cycloheptyl-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-cycloheptyl-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-cycloheptyl-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5117 |
| Compound Name: | 7-cycloheptyl-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | C1CCCC(CC1)N1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8909 |
| logD: | 3.883 |
| logSw: | -3.8881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.986 |
| InChI Key: | PNOOZHHWBPVFAL-UHFFFAOYSA-N |