6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1170 |
| Compound Name: | 6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-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(C(C)C1)c1cccc(C)c1)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0089 |
| logD: | 4.0086 |
| logSw: | -4.1559 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.517 |
| InChI Key: | APQGVCIANGVOOE-UHFFFAOYSA-N |