N-benzyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-benzyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N-benzyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V002-3757 |
| Compound Name: | N-benzyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 616.78 |
| Molecular Formula: | C35 H40 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)C(C(CN(Cc1ccccc1)C(CN(CC1CCCO1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)=O)=CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.709 |
| logD: | 5.709 |
| logSw: | -5.4275 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.573 |
| InChI Key: | KVIVCDFRKLIDOD-GDLZYMKVSA-N |