2-[(2,5-dimethylphenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
2-[(2,5-dimethylphenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Compound characteristics
| Compound ID: | C888-0459 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C21 H21 N3 O |
| Smiles: | CC1=NN(Cc2cc(C)ccc2C)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1344 |
| logD: | 5.1105 |
| logSw: | -5.1336 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 29.3759 |
| InChI Key: | RUSXUBYUFCHAJK-UHFFFAOYSA-N |