N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1069 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C22 H26 N2 O7 S |
| Smiles: | CC(CC(NCCc1ccc(c(c1)OC)OC)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.456 |
| logD: | 0.4559 |
| logSw: | -2.3274 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.583 |
| InChI Key: | BUSYXPNWBCAHJM-AWEZNQCLSA-N |