5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0451 |
| Compound Name: | 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 398.85 |
| Molecular Formula: | C19 H19 Cl N6 O2 |
| Smiles: | Cc1cccc(c1)NC(Cn1c(c(C(NCc2ccc(cc2)[Cl])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2347 |
| logD: | 2.2347 |
| logSw: | -3.2277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | VBCAPKMKTPEAST-UHFFFAOYSA-N |