N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2,4,6-trimethylbenzene-1-sulfonyl)glycinamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2,4,6-trimethylbenzene-1-sulfonyl)glycinamide
N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2,4,6-trimethylbenzene-1-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | V030-7654 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]-N~2~-(2,4,6-trimethylbenzene-1-sulfonyl)glycinamide |
| Molecular Weight: | 606.71 |
| Molecular Formula: | C33 H35 F N2 O6 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N(CC1CCCO1)CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8091 |
| logD: | 4.8091 |
| logSw: | -4.5949 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.573 |
| InChI Key: | CSPUICIDQBPVCH-MUUNZHRXSA-N |