methyl 2-{[cyclohexyl(2-hydroxy-3-phenoxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[cyclohexyl(2-hydroxy-3-phenoxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-{[cyclohexyl(2-hydroxy-3-phenoxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V018-6746 |
| Compound Name: | methyl 2-{[cyclohexyl(2-hydroxy-3-phenoxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c2C(NC(CN(CC(COc3ccccc3)O)C3CCCCC3)=Nc2sc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8658 |
| logD: | 3.8647 |
| logSw: | -4.0907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.943 |
| InChI Key: | YFAACUCSMHSRCS-SFHVURJKSA-N |