4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K786-5648 |
| Compound Name: | 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CCC1C(N(CC(N2CCN(CC2)c2cc(C)ccc2C)=O)c2cc(C)ccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4459 |
| logD: | 4.4458 |
| logSw: | -4.3588 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.618 |
| InChI Key: | DLUFMUNSBUIGQW-QFIPXVFZSA-N |