3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
Chemical Structure Depiction of
3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
Compound characteristics
Compound ID: | V004-2295 |
Compound Name: | 3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide |
Molecular Weight: | 514.56 |
Molecular Formula: | C29 H27 F N4 O4 |
Smiles: | CCN1C2CN(CCC(Nc3ccc(cc3)F)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1256 |
logD: | 4.1205 |
logSw: | -4.1766 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.337 |
InChI Key: | RUIKYLJJJHXXBF-HHHXNRCGSA-N |