N-[(3-bromophenyl)methyl]-5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-[(3-bromophenyl)methyl]-5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | G684-0919 |
| Compound Name: | N-[(3-bromophenyl)methyl]-5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 480.36 |
| Molecular Formula: | C23 H22 Br N5 O2 |
| Smiles: | Cc1cccc(c1)c1nc(Cn2c(C)c(C(NCc3cccc(c3)[Br])=O)nn2)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.977 |
| logD: | 3.977 |
| logSw: | -4.0952 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.481 |
| InChI Key: | CXYBCAYNIXGYHV-UHFFFAOYSA-N |