N-[2-(4-cyanoanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-cyanoanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
N-[2-(4-cyanoanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0128 |
| Compound Name: | N-[2-(4-cyanoanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C18 H16 N6 O2 |
| Smiles: | CN(CC(Nc1ccc(C#N)cc1)=O)C(c1ccc2c(c1)nnn2C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8365 |
| logD: | 0.8362 |
| logSw: | -2.2207 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.578 |
| InChI Key: | RUKRCCNNDFGGLS-UHFFFAOYSA-N |