methyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V002-2607 |
| Compound Name: | methyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C22 H27 N3 O7 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC1NC(c2c(C)c(C(=O)OC)sc2N=1)=O)Cc1ccco1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4109 |
| logD: | 2.4097 |
| logSw: | -2.7773 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.862 |
| InChI Key: | DONGAWKYYHWMDH-AWEZNQCLSA-N |