4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1156 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C28 H36 N4 O5 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)Cc1ccccc1)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7786 |
| logD: | 2.7632 |
| logSw: | -3.4408 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.579 |
| InChI Key: | RWCSVJWHCFXSSF-UHFFFAOYSA-N |