2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | V006-9448 |
| Compound Name: | 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C29 H28 F N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)Cc2nc(co2)C(NCc2ccc(cc2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4033 |
| logD: | 5.4029 |
| logSw: | -5.3117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.613 |
| InChI Key: | NTOAIGMIAKRJKC-UHFFFAOYSA-N |