2-[(4-chlorophenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
2-[(4-chlorophenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Compound characteristics
| Compound ID: | C888-0514 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-4,8-dimethyl[1,2,4]triazino[4,5-a]indol-1(2H)-one |
| Molecular Weight: | 337.81 |
| Molecular Formula: | C19 H16 Cl N3 O |
| Smiles: | CC1=NN(Cc2ccc(cc2)[Cl])C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5544 |
| logD: | 4.551 |
| logSw: | -4.5513 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 29.3759 |
| InChI Key: | GLNQDDSYZXMMDP-UHFFFAOYSA-N |