6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-[(4-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-[(4-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-[(4-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F119-0792 |
| Compound Name: | 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-[(4-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C29 H31 N3 O3 |
| Smiles: | Cc1ccc(CN2C(COc3ccc(cc23)C(N2CCN(CC2)c2cc(C)ccc2C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8939 |
| logD: | 4.8939 |
| logSw: | -4.6826 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.676 |
| InChI Key: | NGXMPLXWSGZPEL-UHFFFAOYSA-N |