N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V001-1894 |
| Compound Name: | N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 617.72 |
| Molecular Formula: | C33 H35 N3 O7 S |
| Smiles: | CC(Nc1ccc(cc1)S(N(CC1CCCO1)CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1157 |
| logD: | 3.1154 |
| logSw: | -3.5312 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.835 |
| InChI Key: | MCCLQQPDGJZCDI-MUUNZHRXSA-N |