4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0232 |
| Compound Name: | 4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C28 H36 N4 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(C(C)C1)c1cccc(C)c1)=O)C(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5237 |
| logD: | 3.5234 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.65 |
| InChI Key: | SIHGICSKWUTDBZ-QFIPXVFZSA-N |