N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V011-0249 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C28 H30 F N3 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC1CCCO1)C(Nc1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3087 |
| logD: | 4.3087 |
| logSw: | -4.3422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.47 |
| InChI Key: | ZKSYTAPYQSYIJD-HSZRJFAPSA-N |