N~2~-(2,5-dichlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N~2~-(2,5-dichlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N~2~-(2,5-dichlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V002-3156 |
| Compound Name: | N~2~-(2,5-dichlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 633.52 |
| Molecular Formula: | C30 H27 Cl2 F N2 O6 S |
| Smiles: | C1CC(CN(CC(N(CC2=COc3ccccc3C2=O)Cc2ccc(cc2)F)=O)S(c2cc(ccc2[Cl])[Cl])(=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2903 |
| logD: | 4.2903 |
| logSw: | -4.5458 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.573 |
| InChI Key: | PVGQDXDEPQVACH-XMMPIXPASA-N |