methyl 3-[(3-methylphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-[(3-methylphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-[(3-methylphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K233-0040 |
| Compound Name: | methyl 3-[(3-methylphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C20 H15 N3 O4 S2 |
| Smiles: | Cc1cccc(c1)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4545 |
| logD: | 3.4545 |
| logSw: | -3.8495 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.241 |
| InChI Key: | DAQRJCBSDGCYMA-UHFFFAOYSA-N |