N-[(2RS)-butan-2-yl]-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-[(2RS)-butan-2-yl]-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-[(2RS)-butan-2-yl]-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0192 |
| Compound Name: | N-[(2RS)-butan-2-yl]-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CC[C@H](C)NC(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1OC)=N3)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0138 |
| logD: | 2.9176 |
| logSw: | -3.5985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.926 |
| InChI Key: | YZROMIWSDXSEAN-LBPRGKRZSA-N |