4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
Compound ID: | K284-4094 |
Compound Name: | 4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
Molecular Weight: | 506.42 |
Molecular Formula: | C22 H24 Br N3 O4 S |
Smiles: | COc1ccc(CCNC(CCCN2C(c3cc(ccc3NC2=S)[Br])=O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 2.4802 |
logD: | 2.4153 |
logSw: | -3.1339 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.87 |
InChI Key: | IUTHBEIZKPYDJH-UHFFFAOYSA-N |