N-(4-bromo-2-fluorophenyl)-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
N-(4-bromo-2-fluorophenyl)-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0012 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 484.75 |
| Molecular Formula: | C17 H8 Br Cl F N3 O2 S2 |
| Smiles: | c1cc2c(cc1[Cl])C(NC1=C(C(Nc3ccc(cc3F)[Br])=O)SC(N12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.484 |
| logD: | 4.4824 |
| logSw: | -4.6262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.369 |
| InChI Key: | KMHMLEDBMWZANM-UHFFFAOYSA-N |