methyl 2-({[3-(benzyloxy)-2-hydroxypropyl](propan-2-yl)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](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-({[3-(benzyloxy)-2-hydroxypropyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V008-1514 |
| Compound Name: | methyl 2-({[3-(benzyloxy)-2-hydroxypropyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(COCc1ccccc1)O)CC1NC(c2c(C)c(C(=O)OC)sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.659 |
| logD: | 2.6568 |
| logSw: | -3.0624 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.649 |
| InChI Key: | LSBYFLITAQCSOE-KRWDZBQOSA-N |