N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(cyclopropylmethyl)-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(cyclopropylmethyl)-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(cyclopropylmethyl)-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V012-2560 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(cyclopropylmethyl)-N~2~-[(3-fluorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C27 H28 F N3 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC1CC1)C(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1356 |
| logD: | 5.1356 |
| logSw: | -5.0837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.339 |
| InChI Key: | LGWLRYCISLNQCO-UHFFFAOYSA-N |