6-(4-methylpiperidine-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(4-methylpiperidine-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
6-(4-methylpiperidine-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0806 |
| Compound Name: | 6-(4-methylpiperidine-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 616.73 |
| Molecular Formula: | C30 H40 N4 O8 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2412 |
| logD: | 2.0407 |
| logSw: | -2.9337 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 98.777 |
| InChI Key: | FHZOIMIBTCFJOH-UHFFFAOYSA-N |