N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y502-1017 |
| Compound Name: | N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 535.52 |
| Molecular Formula: | C25 H21 F4 N3 O4 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1ccc(COc3c(c(cc(c3F)F)F)F)o1)=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4268 |
| logD: | 5.4264 |
| logSw: | -5.3522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.183 |
| InChI Key: | ZZKGRBOHEIUOGJ-UHFFFAOYSA-N |