2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-(prop-2-en-1-yl)propanamide
Chemical Structure Depiction of
2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-(prop-2-en-1-yl)propanamide
2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-(prop-2-en-1-yl)propanamide
Compound characteristics
| Compound ID: | V004-2855 |
| Compound Name: | 2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-(prop-2-en-1-yl)propanamide |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C28 H32 N4 O3 |
| Smiles: | CCN1C2CN(C(Cc3ccccc3)C(NCC=C)=O)C(C=2C(c2ccc(C)cc2C)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2312 |
| logD: | 4.1568 |
| logSw: | -4.1886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.079 |
| InChI Key: | KBEPGDZWODORPS-UHFFFAOYSA-N |