N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(3-chloro-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-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | K405-0959 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(3-chloro-4-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C27 H21 Cl N4 O2 |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)c1c2c(cn(c3ccc(C)c(c3)[Cl])c2ncn1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6609 |
| logD: | 6.6239 |
| logSw: | -6.3566 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.817 |
| InChI Key: | ZKUQNXXCKLJREB-UHFFFAOYSA-N |