N-[(2RS)-butan-2-yl]-2-(3-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-[(2RS)-butan-2-yl]-2-(3-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-[(2RS)-butan-2-yl]-2-(3-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0467 |
| Compound Name: | N-[(2RS)-butan-2-yl]-2-(3-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | CC[C@H](C)NC(c1ccc2C(N3C(=Nc2c1)SC(Nc1cccc(c1C)[Cl])=N3)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0681 |
| logD: | 3.7457 |
| logSw: | -4.4146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.295 |
| InChI Key: | OSCFCRIHAKRRRZ-NSHDSACASA-N |