2-(3-chloro-2-methylanilino)-N-(3-methylbutyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(3-chloro-2-methylanilino)-N-(3-methylbutyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(3-chloro-2-methylanilino)-N-(3-methylbutyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0464 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-N-(3-methylbutyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N3C(=Nc2c1)SC(Nc1cccc(c1C)[Cl])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8148 |
| logD: | 4.4924 |
| logSw: | -4.8507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.695 |
| InChI Key: | KXNATQBFRCVFEJ-UHFFFAOYSA-N |