N-[2-(3-cyanoanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3-cyanoanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-[2-(3-cyanoanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0927 |
| Compound Name: | N-[2-(3-cyanoanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 376.42 |
| Molecular Formula: | C20 H20 N6 O2 |
| Smiles: | CC(C)n1c2ccc(cc2nn1)C(N(C)CC(Nc1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0115 |
| logD: | 2.0114 |
| logSw: | -2.8616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.76 |
| InChI Key: | IJDXOWCKGGOEEK-UHFFFAOYSA-N |