3-{[(furan-2-yl)methyl][(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{[(furan-2-yl)methyl][(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
3-{[(furan-2-yl)methyl][(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V022-9795 |
| Compound Name: | 3-{[(furan-2-yl)methyl][(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC1NC(c2c3CCC(C)Cc3sc2N=1)=O)Cc1ccco1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7966 |
| logD: | 3.7951 |
| logSw: | -4.2237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.609 |
| InChI Key: | WQOCNHWODKGVJB-UHFFFAOYSA-N |