2-(benzylsulfanyl)-5-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
2-(benzylsulfanyl)-5-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D392-0013 |
| Compound Name: | 2-(benzylsulfanyl)-5-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | COc1cccc(C2CC(NC3=C2C(NC(=N3)SCc2ccccc2)=O)=O)c1OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7816 |
| logD: | 2.7717 |
| logSw: | -3.3969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.09 |
| InChI Key: | VGLAIIROISZWGR-QGZVFWFLSA-N |