N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylphenoxy)-2-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylphenoxy)-2-phenylpyrimidine-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylphenoxy)-2-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V025-9132 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylphenoxy)-2-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C27 H23 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)Oc1c(cnc(c2ccccc2)n1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0882 |
| logD: | 6.0882 |
| logSw: | -5.421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.094 |
| InChI Key: | KHXXYWHDHVJXCK-UHFFFAOYSA-N |