methyl 3-{[(4-methylphenyl)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-{[(4-methylphenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-{[(4-methylphenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0177 |
| Compound Name: | methyl 3-{[(4-methylphenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C21 H17 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(C2=C3NC(c4ccc(cc4N3C(=S)S2)C(=O)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2692 |
| logD: | 3.2692 |
| logSw: | -3.603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.563 |
| InChI Key: | BDDQXWZXGUJSGN-UHFFFAOYSA-N |