5-amino-N-(2,5-dimethylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2,5-dimethylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2,5-dimethylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0830 |
| Compound Name: | 5-amino-N-(2,5-dimethylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C20 H22 N6 O2 |
| Smiles: | Cc1cccc(c1)NC(Cn1c(c(C(Nc2cc(C)ccc2C)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2881 |
| logD: | 2.2881 |
| logSw: | -2.7474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.739 |
| InChI Key: | JOIRPBZEMFSGGF-UHFFFAOYSA-N |