N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C700-0179 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C26 H33 N3 O7 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(NCCc1ccc(c(c1)OC)OC)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9182 |
| logD: | 1.9182 |
| logSw: | -2.8465 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.353 |
| InChI Key: | HSFWJUTVXWGKIQ-UHFFFAOYSA-N |