3-{benzyl[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{benzyl[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
3-{benzyl[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V028-5526 |
| Compound Name: | 3-{benzyl[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC1NC(c2c3CCCc3sc2N=1)=O)Cc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5449 |
| logD: | 3.5406 |
| logSw: | -3.9355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.226 |
| InChI Key: | MOMAQQOQLNGFDG-KRWDZBQOSA-N |