ethyl 2-({[3-(4-chlorophenoxy)-2-hydroxypropyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[3-(4-chlorophenoxy)-2-hydroxypropyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-({[3-(4-chlorophenoxy)-2-hydroxypropyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V018-6675 |
| Compound Name: | ethyl 2-({[3-(4-chlorophenoxy)-2-hydroxypropyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C23 H28 Cl N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c2C(NC(CN(CC(COc3ccc(cc3)[Cl])O)C(C)C)=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9028 |
| logD: | 3.9007 |
| logSw: | -4.4675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.294 |
| InChI Key: | GQNNFKVIGFYXIX-INIZCTEOSA-N |