methyl 3-{[(2-chlorophenyl)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-{[(2-chlorophenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-{[(2-chlorophenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0158 |
| Compound Name: | methyl 3-{[(2-chlorophenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C20 H14 Cl N3 O4 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(NCc4ccccc4[Cl])=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6278 |
| logD: | 3.6278 |
| logSw: | -4.109 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.563 |
| InChI Key: | ILVDBWGARNPQLT-UHFFFAOYSA-N |