N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8-dimethoxy-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8-dimethoxy-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8-dimethoxy-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0349 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,8-dimethoxy-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C21 H17 N3 O6 S2 |
| Smiles: | COc1cc2C(NC3=C(C(NCc4ccc5c(c4)OCO5)=O)SC(N3c2cc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4155 |
| logD: | 2.4155 |
| logSw: | -3.1755 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.766 |
| InChI Key: | KWBAOVIOEHBEGI-UHFFFAOYSA-N |