N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0026 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | Cc1ccccc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCCC2CCCCC=2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0798 |
| logD: | 4.0722 |
| logSw: | -4.2427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.616 |
| InChI Key: | MMTFLCLEUGZDFF-UHFFFAOYSA-N |