2-(3-chloro-2-methylanilino)-N-[2-(cyclohex-1-en-1-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-(cyclohex-1-en-1-yl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(3-chloro-2-methylanilino)-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0456 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C25 H24 Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCCC2CCCCC=2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.0923 |
| logD: | 4.7699 |
| logSw: | -5.2853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.616 |
| InChI Key: | KSEMQSDJMBDSHI-UHFFFAOYSA-N |