N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-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-methyl-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-methyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0473 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C20 H15 N3 O4 S2 |
| Smiles: | Cc1ccc2c(c1)C(NC1=C(C(NCc3ccc4c(c3)OCO4)=O)SC(N12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9953 |
| logD: | 2.9953 |
| logSw: | -3.476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.505 |
| InChI Key: | JNBHFRUYESQDOW-UHFFFAOYSA-N |