methyl 4-[(2,5-dimethylphenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 4-[(2,5-dimethylphenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 4-[(2,5-dimethylphenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K233-0860 |
| Compound Name: | methyl 4-[(2,5-dimethylphenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C27 H22 N2 O3 S2 |
| Smiles: | Cc1ccc(C)c(CN2C3=C(c4ccccc4)SC(N3c3cc(ccc3C2=O)C(=O)OC)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.643 |
| logD: | 6.643 |
| logSw: | -5.6431 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 38.962 |
| InChI Key: | UZEKHQJWPCSOSU-UHFFFAOYSA-N |