4-ethyl-8-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazino[4,5-a]indol-1(2H)-one
Chemical Structure Depiction of
4-ethyl-8-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazino[4,5-a]indol-1(2H)-one
4-ethyl-8-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazino[4,5-a]indol-1(2H)-one
Compound characteristics
| Compound ID: | C888-0581 |
| Compound Name: | 4-ethyl-8-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazino[4,5-a]indol-1(2H)-one |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C21 H21 N3 O |
| Smiles: | CCC1=NN(Cc2cccc(C)c2)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9428 |
| logD: | 4.9212 |
| logSw: | -4.8182 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.4676 |
| InChI Key: | UBLJDTZAHLVYIM-UHFFFAOYSA-N |