4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V002-3997 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C23 H23 Cl N4 O3 |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2cccc(c2)[Cl])C(C(C(N2CCCC2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6214 |
| logD: | 4.6214 |
| logSw: | -4.6241 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.259 |
| InChI Key: | RNTNIAGLRLOVSQ-UHFFFAOYSA-N |