N-(2-methoxyethyl)-2-[4-(3-nitrophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-[4-(3-nitrophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
N-(2-methoxyethyl)-2-[4-(3-nitrophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | V004-9046 |
| Compound Name: | N-(2-methoxyethyl)-2-[4-(3-nitrophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C20 H23 N5 O6 |
| Smiles: | COCCNC(CN1CC2=C(C(c3cccc(c3)[N+]([O-])=O)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5257 |
| logD: | 0.2715 |
| logSw: | -2.2893 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.023 |
| InChI Key: | GECXSLRFKXRBIS-GOSISDBHSA-N |