N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(tert-butylcarbamoyl)-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~-(tert-butylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[2-(pyrrolidin-1-yl)ethyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(tert-butylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[2-(pyrrolidin-1-yl)ethyl]glycinamide
Compound characteristics
| Compound ID: | V002-8380 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(tert-butylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[2-(pyrrolidin-1-yl)ethyl]glycinamide |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C27 H38 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCN1CCCC1)C(NC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0207 |
| logD: | 0.4825 |
| logSw: | -3.9878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.561 |
| InChI Key: | RFHFZTPXPZNKBQ-UHFFFAOYSA-N |