2-(5-chloro-2-methylanilino)-5-oxo-N-[(oxolan-2-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(5-chloro-2-methylanilino)-5-oxo-N-[(oxolan-2-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(5-chloro-2-methylanilino)-5-oxo-N-[(oxolan-2-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0409 |
| Compound Name: | 2-(5-chloro-2-methylanilino)-5-oxo-N-[(oxolan-2-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C22 H20 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCC2CCCO2)=O)S1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9887 |
| logD: | 2.6663 |
| logSw: | -3.6587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.237 |
| InChI Key: | LGCFHWMTVOSSHP-OAHLLOKOSA-N |