4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0217 |
| Compound Name: | 4-{2-[4-(2,3-dimethylphenyl)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(CC1)c1cccc(C)c1C)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.736 |
| logD: | 3.7359 |
| logSw: | -4.0095 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.131 |
| InChI Key: | AFIAQWYCFBUUOA-UHFFFAOYSA-N |