2-(3-chloro-2-methylanilino)-N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(3-chloro-2-methylanilino)-N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(3-chloro-2-methylanilino)-N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0469 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C23 H23 Cl N6 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCCN2CCOCC2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.8606 |
| logD: | 2.5382 |
| logSw: | -3.695 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.315 |
| InChI Key: | OPSGDOLLBDAFCQ-UHFFFAOYSA-N |