5-methyl-7-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-methyl-7-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-methyl-7-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1123 |
| Compound Name: | 5-methyl-7-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | CCC(C(N1CCN(C(C)C1)c1cccc(C)c1)=O)N1C(c2cc3c(ccs3)n2C(C)=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4966 |
| logD: | 4.4962 |
| logSw: | -4.2976 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.911 |
| InChI Key: | GAUAWZKWJGCQES-UHFFFAOYSA-N |