4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1176 |
| Compound Name: | 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C29 H38 N4 O5 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1cc(C)ccc1C)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2555 |
| logD: | 4.2555 |
| logSw: | -4.3221 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.998 |
| InChI Key: | AGZMGBJCVJPHBF-UHFFFAOYSA-N |