2-hydroxy-3-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}propyl butanoate
Chemical Structure Depiction of
2-hydroxy-3-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}propyl butanoate
2-hydroxy-3-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}propyl butanoate
Compound characteristics
| Compound ID: | V012-1712 |
| Compound Name: | 2-hydroxy-3-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl](prop-2-en-1-yl)amino}propyl butanoate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC=C)CC1NC(c2c3CCCCc3sc2N=1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0149 |
| logD: | 3.0137 |
| logSw: | -3.2052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.11 |
| InChI Key: | SBLKAYMPQOVXOK-AWEZNQCLSA-N |