5-methyl-7-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-methyl-7-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-methyl-7-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-2588 |
| Compound Name: | 5-methyl-7-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}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: | CC1CN(CCN1c1cccc(C)c1)C(CCCN1C(c2cc3c(ccs3)n2C(C)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4228 |
| logD: | 3.4214 |
| logSw: | -3.652 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.244 |
| InChI Key: | KHHGJTODHNQFAS-SFHVURJKSA-N |