N-[(3-methoxyphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
N-[(3-methoxyphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0431 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H,8H-[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C20 H15 N3 O5 S2 |
| Smiles: | COc1cccc(CNC(C2=C3NC(c4cc5c(cc4N3C(=S)S2)OCO5)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9121 |
| logD: | 2.9121 |
| logSw: | -3.599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.049 |
| InChI Key: | NVBBKJGEKZQYBX-UHFFFAOYSA-N |