N-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
N-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0534 |
| Compound Name: | N-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C19 H18 N6 O2 |
| Smiles: | CCn1c2ccc(cc2nn1)C(N(C)CC(Nc1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4049 |
| logD: | 1.4048 |
| logSw: | -2.3524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.017 |
| InChI Key: | DSVVOTRLQWVPQA-UHFFFAOYSA-N |