1-[(4-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide
1-[(4-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
Compound ID: | L455-0103 |
Compound Name: | 1-[(4-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-1H-benzotriazole-5-carboxamide |
Molecular Weight: | 322.36 |
Molecular Formula: | C18 H18 N4 O2 |
Smiles: | COc1ccc(Cn2c3ccc(cc3nn2)C(NCC=C)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 1.8749 |
logD: | 1.8749 |
logSw: | -2.5859 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.735 |
InChI Key: | MSXRPHUKQFJLKV-UHFFFAOYSA-N |