2-(4-bromophenyl)-5-methyl-5-(propan-2-yl)-1,2,4-triazolidin-3-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-methyl-5-(propan-2-yl)-1,2,4-triazolidin-3-one
2-(4-bromophenyl)-5-methyl-5-(propan-2-yl)-1,2,4-triazolidin-3-one
Compound characteristics
| Compound ID: | J063-0231 |
| Compound Name: | 2-(4-bromophenyl)-5-methyl-5-(propan-2-yl)-1,2,4-triazolidin-3-one |
| Molecular Weight: | 298.18 |
| Molecular Formula: | C12 H16 Br N3 O |
| Smiles: | CC(C)C1(C)NC(N(c2ccc(cc2)[Br])N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5582 |
| logD: | 3.5582 |
| logSw: | -3.6153 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.542 |
| InChI Key: | CBWXOIULPFNSLT-LBPRGKRZSA-N |