3-(3-chloro-4-methylphenyl)-7,8-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-(3-chloro-4-methylphenyl)-7,8-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
3-(3-chloro-4-methylphenyl)-7,8-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D148-0256 |
| Compound Name: | 3-(3-chloro-4-methylphenyl)-7,8-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 356.83 |
| Molecular Formula: | C17 H13 Cl N4 O S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(c2c(c3cc(C)c(C)nc3s2)N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3482 |
| logD: | 5.3482 |
| logSw: | -6.0119 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.559 |
| InChI Key: | XMSAFDVLRSFTLV-UHFFFAOYSA-N |