ethyl 7-(3-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate
Chemical Structure Depiction of
ethyl 7-(3-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate
ethyl 7-(3-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | L551-0382 |
| Compound Name: | ethyl 7-(3-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C25 H23 Cl N4 O4 |
| Smiles: | CCOC(c1nc(c2c(C)c(C)n(c3cccc(c3)[Cl])c2n1)Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9311 |
| logD: | 4.931 |
| logSw: | -4.8757 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.741 |
| InChI Key: | ZWNYJQAOHYLIMH-UHFFFAOYSA-N |