2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-0651 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide |
| Molecular Weight: | 411.38 |
| Molecular Formula: | C18 H17 N7 O5 |
| Smiles: | CN1C(c2c(ncn2CC(N/N=C/C=C\c2ccccc2[N+]([O-])=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5157 |
| logD: | 0.5152 |
| logSw: | -2.1025 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.046 |
| InChI Key: | JTUPEPWPJJTTOL-UHFFFAOYSA-N |