N-[(2-chloro-4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | G373-3266 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C22 H18 Cl F N4 O2 |
| Smiles: | COc1cccc(Cn2c3ccc(cc3nn2)C(NCc2ccc(cc2[Cl])F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1412 |
| logD: | 4.1411 |
| logSw: | -4.5784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.622 |
| InChI Key: | YQLTWMSKXJEFEY-UHFFFAOYSA-N |