2-(5-chloro-2-methylanilino)-5-oxo-N-{3-[(propan-2-yl)oxy]propyl}-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(5-chloro-2-methylanilino)-5-oxo-N-{3-[(propan-2-yl)oxy]propyl}-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(5-chloro-2-methylanilino)-5-oxo-N-{3-[(propan-2-yl)oxy]propyl}-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0424 |
| Compound Name: | 2-(5-chloro-2-methylanilino)-5-oxo-N-{3-[(propan-2-yl)oxy]propyl}-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C23 H24 Cl N5 O3 S |
| Smiles: | CC(C)OCCCNC(c1ccc2C(N3C(=Nc2c1)SC(Nc1cc(ccc1C)[Cl])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6044 |
| logD: | 3.282 |
| logSw: | -4.1187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.896 |
| InChI Key: | XETNYYPBFCMPHB-UHFFFAOYSA-N |