[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
Chemical Structure Depiction of
[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
Compound characteristics
| Compound ID: | D077-0379 |
| Compound Name: | [1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid |
| Molecular Weight: | 358.31 |
| Molecular Formula: | C16 H14 N4 O6 |
| Smiles: | CN1C(c2c(cn(CC(O)=O)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3688 |
| logD: | -3.6877 |
| logSw: | -1.6018 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.365 |
| InChI Key: | WWHUYXFCAKNBMH-UHFFFAOYSA-N |