3-{2-[(2,4-dichlorophenyl)methylidene]hydrazinyl}pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Chemical Structure Depiction of
3-{2-[(2,4-dichlorophenyl)methylidene]hydrazinyl}pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
3-{2-[(2,4-dichlorophenyl)methylidene]hydrazinyl}pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | K060-0045 |
| Compound Name: | 3-{2-[(2,4-dichlorophenyl)methylidene]hydrazinyl}pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione |
| Molecular Weight: | 352.14 |
| Molecular Formula: | C12 H7 Cl2 N7 O2 |
| Smiles: | C(\c1ccc(cc1[Cl])[Cl])=N/Nc1nc2c(C(NC(N2)=O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.558 |
| logD: | 1.231 |
| logSw: | -3.532 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.5 |
| InChI Key: | CEGROQMNTDDAII-UHFFFAOYSA-N |