methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0163 |
| Compound Name: | methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C21 H15 N3 O6 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(NCc4ccc5c(c4)OCO5)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7589 |
| logD: | 2.7589 |
| logSw: | -3.4346 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.679 |
| InChI Key: | BUZBPFGEORBNBD-UHFFFAOYSA-N |