ethyl 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
ethyl 2-({[3-(butanoyloxy)-2-hydroxypropyl][(furan-2-yl)methyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 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: | V008-3478 |
| Compound Name: | ethyl 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: | 491.56 |
| Molecular Formula: | C23 H29 N3 O7 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC1NC(c2c(C)c(C(=O)OCC)sc2N=1)=O)Cc1ccco1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8306 |
| logD: | 2.8294 |
| logSw: | -3.1995 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.442 |
| InChI Key: | ZERZNSKXTKCJMZ-HNNXBMFYSA-N |