methyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V023-0209 |
| Compound Name: | methyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C25 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCc1c2C(NC(CN(CC(COCC(C)C)O)Cc3ccccc3)=Nc2sc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7182 |
| logD: | 3.7148 |
| logSw: | -4.332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.014 |
| InChI Key: | JQBDPKPMMAXOIP-SFHVURJKSA-N |