5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1605 |
| Compound Name: | 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 459.3 |
| Molecular Formula: | C19 H19 Br N6 O3 |
| Smiles: | COc1cccc(CNC(c2c(N)n(CC(Nc3ccc(cc3)[Br])=O)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2112 |
| logD: | 2.2111 |
| logSw: | -2.9096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.303 |
| InChI Key: | QQVOUOCWZHYYQY-UHFFFAOYSA-N |