3-(azepane-1-carbonyl)-1-sulfanylidene-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-sulfanylidene-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
3-(azepane-1-carbonyl)-1-sulfanylidene-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F083-0419 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-sulfanylidene-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C18 H17 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)C(C1=C2NC(c3cc4c(cc3N2C(=S)S1)OCO4)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8975 |
| logD: | 2.8975 |
| logSw: | -3.6041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.071 |
| InChI Key: | FSXSPLDXZTVQKG-UHFFFAOYSA-N |