N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N~2~-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N~2~-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N~2~-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V001-0390 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N~2~-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 631.59 |
| Molecular Formula: | C28 H27 F6 N3 O5 S |
| Smiles: | COCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1cccs1)=O)C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9652 |
| logD: | 5.9588 |
| logSw: | -5.5348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.409 |
| InChI Key: | QUOKLQBAPXKAPY-UHFFFAOYSA-N |