N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0078 |
| Compound Name: | N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 420.24 |
| Molecular Formula: | C17 H15 Br F N5 O2 |
| Smiles: | CN(CC(Nc1ccc(cc1F)[Br])=O)C(c1ccc2c(c1)nnn2C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8626 |
| logD: | 1.854 |
| logSw: | -2.6946 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.824 |
| InChI Key: | LIPKJAMPCUPMFJ-UHFFFAOYSA-N |