2-hydroxy-3-{(3-methoxypropyl)[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate
Chemical Structure Depiction of
2-hydroxy-3-{(3-methoxypropyl)[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate
2-hydroxy-3-{(3-methoxypropyl)[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate
Compound characteristics
| Compound ID: | V022-3086 |
| Compound Name: | 2-hydroxy-3-{(3-methoxypropyl)[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate |
| Molecular Weight: | 451.58 |
| Molecular Formula: | C22 H33 N3 O5 S |
| Smiles: | CCCC(=O)OCC(CN(CCCOC)CC1NC(c2c3CCCCc3sc2N=1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6788 |
| logD: | 2.6769 |
| logSw: | -2.8488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.453 |
| InChI Key: | PNICPBLTUBEHJF-HNNXBMFYSA-N |