2-(3-chloro-2-methylanilino)-N-(3-methoxypropyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(3-chloro-2-methylanilino)-N-(3-methoxypropyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(3-chloro-2-methylanilino)-N-(3-methoxypropyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0468 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-N-(3-methoxypropyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCCCOC)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4806 |
| logD: | 3.1582 |
| logSw: | -3.9747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.038 |
| InChI Key: | DSAFRVXHNLVCPG-UHFFFAOYSA-N |