N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[2-(pyrrolidin-1-yl)ethyl]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~-[2-(pyrrolidin-1-yl)ethyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[2-(pyrrolidin-1-yl)ethyl]glycinamide
Compound characteristics
| Compound ID: | V029-6978 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[2-(pyrrolidin-1-yl)ethyl]glycinamide |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C29 H33 F N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCN1CCCC1)C(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5078 |
| logD: | 1.5305 |
| logSw: | -4.228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.143 |
| InChI Key: | LNAHZNNXOFUHHI-UHFFFAOYSA-N |