7-bromo-N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
7-bromo-N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
7-bromo-N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0301 |
| Compound Name: | 7-bromo-N-[(4-methylphenyl)methyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 460.37 |
| Molecular Formula: | C19 H14 Br N3 O2 S2 |
| Smiles: | Cc1ccc(CNC(C2=C3NC(c4cc(ccc4N3C(=S)S2)[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9765 |
| logD: | 3.9764 |
| logSw: | -4.1892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.389 |
| InChI Key: | PLMBOWYQCHGXGA-UHFFFAOYSA-N |