1-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide
1-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0381 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C18 H18 N4 O2 |
| Smiles: | COc1cccc(Cn2c3ccc(cc3nn2)C(NCC=C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9479 |
| logD: | 1.9479 |
| logSw: | -2.5208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.735 |
| InChI Key: | ZLQUBBXRLVOZGV-UHFFFAOYSA-N |