3-(4-chloroanilino)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Chemical Structure Depiction of
3-(4-chloroanilino)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
3-(4-chloroanilino)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | 8018-6851 |
| Compound Name: | 3-(4-chloroanilino)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione |
| Molecular Weight: | 290.67 |
| Molecular Formula: | C11 H7 Cl N6 O2 |
| Smiles: | c1cc(ccc1Nc1nc2c(C(NC(N2)=O)=O)nn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.5257 |
| logD: | 0.7641 |
| logSw: | -2.5746 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.303 |
| InChI Key: | STKUFCKOGXZOMW-UHFFFAOYSA-N |