5-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-2579 |
| Compound Name: | 5-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CC1=NN(CCCC(N2CCN(CC2)c2ccccc2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5115 |
| logD: | 2.5101 |
| logSw: | -2.6479 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.026 |
| InChI Key: | BCDQQMLXHKYXPQ-UHFFFAOYSA-N |