2-[4-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-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-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-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-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-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: | V007-5556 |
| Compound Name: | 2-[4-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-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: | 490.99 |
| Molecular Formula: | C27 H27 Cl N4 O3 |
| Smiles: | C=CCNC(C(Cc1ccccc1)N1CC2=C(C(c3ccc(cc3)[Cl])NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8341 |
| logD: | 3.7857 |
| logSw: | -4.6624 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.332 |
| InChI Key: | LRPUYQLJFXQBKC-UHFFFAOYSA-N |