3-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}-2-hydroxypropyl butanoate
3-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V005-9762 |
| Compound Name: | 3-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C19 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC=C)CC1NC(c2c(C)c(C)sc2N=1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5573 |
| logD: | 2.5561 |
| logSw: | -2.7734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.19 |
| InChI Key: | UDNKBPJAJAVLLH-AWEZNQCLSA-N |