N-[2-(2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
N-[2-(2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0057 |
| Compound Name: | N-[2-(2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 341.34 |
| Molecular Formula: | C17 H16 F N5 O2 |
| Smiles: | CN(CC(Nc1ccccc1F)=O)C(c1ccc2c(c1)nnn2C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9622 |
| logD: | 0.9621 |
| logSw: | -2.3208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.824 |
| InChI Key: | KCMSDAJLCRIFQS-UHFFFAOYSA-N |