ethyl 2-benzyl-4-{[(4-chlorophenyl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-benzyl-4-{[(4-chlorophenyl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-benzyl-4-{[(4-chlorophenyl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K810-0132 |
| Compound Name: | ethyl 2-benzyl-4-{[(4-chlorophenyl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C24 H22 Cl N3 O2 S |
| Smiles: | CCOC(c1c(C)c2c(NCc3ccc(cc3)[Cl])nc(Cc3ccccc3)nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2898 |
| logD: | 6.1588 |
| logSw: | -6.1595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.261 |
| InChI Key: | XEMBQHOLEYFJGQ-UHFFFAOYSA-N |