N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide
Chemical Structure Depiction of
N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide
N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | V001-5516 |
| Compound Name: | N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide |
| Molecular Weight: | 591.68 |
| Molecular Formula: | C31 H33 N3 O7 S |
| Smiles: | CC(C)CCN(CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3933 |
| logD: | 5.3933 |
| logSw: | -5.3477 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 101.551 |
| InChI Key: | FONGBFGIQLDRTM-UHFFFAOYSA-N |