N-(2-acetamidoethyl)-2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(2-acetamidoethyl)-2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-(2-acetamidoethyl)-2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0439 |
| Compound Name: | N-(2-acetamidoethyl)-2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 470.94 |
| Molecular Formula: | C21 H19 Cl N6 O3 S |
| Smiles: | CC(NCCNC(c1ccc2C(N3C(=Nc2c1)SC(Nc1cc(ccc1C)[Cl])=N3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6097 |
| logD: | 1.2873 |
| logSw: | -3.0665 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.121 |
| InChI Key: | QVFFLAOSASOYFM-UHFFFAOYSA-N |