5-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl[1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one
Chemical Structure Depiction of
5-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl[1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one
5-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl[1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one
Compound characteristics
| Compound ID: | 3312-0080 |
| Compound Name: | 5-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl[1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one |
| Molecular Weight: | 352.78 |
| Molecular Formula: | C18 H13 Cl N4 O2 |
| Smiles: | CC1C(N=C2N(CC(c3ccc(cc3)[Cl])=O)c3ccccc3N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7129 |
| logD: | 2.7098 |
| logSw: | -3.5416 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.245 |
| InChI Key: | CCTKNJWHSCSFHX-UHFFFAOYSA-N |