butyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
butyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
butyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | 8019-8514 |
| Compound Name: | butyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 464.48 |
| Molecular Formula: | C24 H24 N4 O6 |
| Smiles: | CCCCOC(c1ccc(cc1)N1CC2=C(C(c3cccc(c3)[N+]([O-])=O)NC(N2C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9522 |
| logD: | 2.778 |
| logSw: | -3.9581 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.486 |
| InChI Key: | KVVHTUOMGIGLFP-OAQYLSRUSA-N |