7-bromo-N-(2,4-dimethylphenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
7-bromo-N-(2,4-dimethylphenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
7-bromo-N-(2,4-dimethylphenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | F083-0265 |
Compound Name: | 7-bromo-N-(2,4-dimethylphenyl)-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(c(C)c1)NC(C1=C2NC(c3cc(ccc3N2C(=S)S1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4827 |
logD: | 4.4827 |
logSw: | -4.2733 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 49.369 |
InChI Key: | GPTYGSHFCGAUTH-UHFFFAOYSA-N |