methyl 2-({benzyl[3-(benzyloxy)-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-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V013-2236 |
| Compound Name: | methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c2C(NC(CN(CC(COCc3ccccc3)O)Cc3ccccc3)=Nc2sc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.487 |
| logD: | 3.4835 |
| logSw: | -3.8441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.742 |
| InChI Key: | XMQDXSFMALGACY-NRFANRHFSA-N |