N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2-phenylethenesulfonyl)glycinamide
Chemical Structure Depiction of
N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2-phenylethenesulfonyl)glycinamide
N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2-phenylethenesulfonyl)glycinamide
Compound characteristics
| Compound ID: | V001-5528 |
| Compound Name: | N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2-phenylethenesulfonyl)glycinamide |
| Molecular Weight: | 586.71 |
| Molecular Formula: | C33 H34 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)C(C(CN(Cc1ccccc1)C(CN(CC1CCCO1)S(/C=C/c1ccccc1)(=O)=O)=O)=CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1415 |
| logD: | 4.1415 |
| logSw: | -4.2519 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.468 |
| InChI Key: | QTHGPRZJWIFQIL-GDLZYMKVSA-N |