methyl 2-({[3-(benzyloxy)-2-hydroxypropyl](cyclohexyl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-({[3-(benzyloxy)-2-hydroxypropyl](cyclohexyl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-({[3-(benzyloxy)-2-hydroxypropyl](cyclohexyl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V008-1527 |
| Compound Name: | methyl 2-({[3-(benzyloxy)-2-hydroxypropyl](cyclohexyl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C26 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c2C(NC(CN(CC(COCc3ccccc3)O)C3CCCCC3)=Nc2sc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.665 |
| logD: | 3.6639 |
| logSw: | -4.0186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.879 |
| InChI Key: | WDSWDYKMARBAFP-FQEVSTJZSA-N |