ethyl 2-({benzyl[3-(butanoyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({benzyl[3-(butanoyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-({benzyl[3-(butanoyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V009-2693 |
| Compound Name: | ethyl 2-({benzyl[3-(butanoyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC1NC(c2c(C)c(C(=O)OCC)sc2N=1)=O)Cc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4231 |
| logD: | 3.4194 |
| logSw: | -3.6803 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.693 |
| InChI Key: | OIXUSRBSTJTRLF-SFHVURJKSA-N |