2-({2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl)benzoic acid
Chemical Structure Depiction of
2-({2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl)benzoic acid
2-({2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | 3254-0656 |
| Compound Name: | 2-({2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl)benzoic acid |
| Molecular Weight: | 384.35 |
| Molecular Formula: | C17 H16 N6 O5 |
| Smiles: | CN1C(c2c(ncn2CC(N/N=C/c2ccccc2C(O)=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4592 |
| logD: | -2.9604 |
| logSw: | -2.2842 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.743 |
| InChI Key: | SGIQNLCOFORVQH-UHFFFAOYSA-N |