methyl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V016-4318 |
| Compound Name: | methyl 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c2C(NC(CN(CC(COC(C)(C)C)O)Cc3ccccc3)=Nc2sc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.335 |
| logD: | 3.3315 |
| logSw: | -3.5748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.292 |
| InChI Key: | YSRWFGZHAHXMCE-KRWDZBQOSA-N |