N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | K405-0433 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C27 H22 N4 O2 |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)c1c2c(cn(c3ccc(C)cc3)c2ncn1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8601 |
| logD: | 5.8231 |
| logSw: | -5.8712 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.817 |
| InChI Key: | VBYPUMRSTXPRPV-UHFFFAOYSA-N |