N-cycloheptyl-2-(2,5-dimethylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cycloheptyl-2-(2,5-dimethylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-cycloheptyl-2-(2,5-dimethylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0307 |
| Compound Name: | N-cycloheptyl-2-(2,5-dimethylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC1=NN2C(=Nc3cc(ccc3C2=O)C(NC2CCCCCC2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.8507 |
| logD: | 4.8404 |
| logSw: | -4.5133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.639 |
| InChI Key: | YKPGWFMRZTUPJF-UHFFFAOYSA-N |