7-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-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-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
7-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0290 |
| Compound Name: | 7-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 520.42 |
| Molecular Formula: | C21 H18 Br N3 O4 S2 |
| Smiles: | COc1ccc(CCNC(C2=C3NC(c4cc(ccc4N3C(=S)S2)[Br])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0037 |
| logD: | 3.0036 |
| logSw: | -3.5739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.492 |
| InChI Key: | QNMYLVWFEVFDTJ-UHFFFAOYSA-N |