2-anilino-N-butyl-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-anilino-N-butyl-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-anilino-N-butyl-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | K284-7835 |
Compound Name: | 2-anilino-N-butyl-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
Molecular Weight: | 407.49 |
Molecular Formula: | C21 H21 N5 O2 S |
Smiles: | CCCCN(C)C(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1)=N3)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9745 |
logD: | 2.9697 |
logSw: | -3.665 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.267 |
InChI Key: | KWQPUVWHOAYJFO-UHFFFAOYSA-N |