N-[(3-methylphenyl)methyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-[(3-methylphenyl)methyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-1129 |
| Compound Name: | N-[(3-methylphenyl)methyl]-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C18 H20 N4 O |
| Smiles: | CC(C)n1c2ccc(cc2nn1)C(NCc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2969 |
| logD: | 3.2968 |
| logSw: | -3.3598 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.818 |
| InChI Key: | MKNIVLNAGFJUPL-UHFFFAOYSA-N |