2-(3,4-dimethylphenyl)-5,5-dipropyl-1,2,4-triazolidin-3-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5,5-dipropyl-1,2,4-triazolidin-3-one
2-(3,4-dimethylphenyl)-5,5-dipropyl-1,2,4-triazolidin-3-one
Compound characteristics
| Compound ID: | J063-0183 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5,5-dipropyl-1,2,4-triazolidin-3-one |
| Molecular Weight: | 275.39 |
| Molecular Formula: | C16 H25 N3 O |
| Smiles: | CCCC1(CCC)NC(N(c2ccc(C)c(C)c2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9219 |
| logD: | 4.9219 |
| logSw: | -4.5084 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.967 |
| InChI Key: | USJUVKRNIGJWGH-UHFFFAOYSA-N |