2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[2-(morpholin-4-yl)ethyl]-3-phenylpropanamide
Chemical Structure Depiction of
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[2-(morpholin-4-yl)ethyl]-3-phenylpropanamide
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[2-(morpholin-4-yl)ethyl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V009-0412 |
| Compound Name: | 2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[2-(morpholin-4-yl)ethyl]-3-phenylpropanamide |
| Molecular Weight: | 597.64 |
| Molecular Formula: | C31 H34 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(NCCN3CCOCC3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.349 |
| logD: | 3.2036 |
| logSw: | -3.6588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.952 |
| InChI Key: | CMPASHNOGHBIKQ-UHFFFAOYSA-N |