5-ethyl-2-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-ethyl-2-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-ethyl-2-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C784-3162 |
| Compound Name: | 5-ethyl-2-methyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | CCC1=NN(CCCC(N2CCN(CC2)c2ccccc2)=O)C(c2cc3c(cc(C)o3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7691 |
| logD: | 2.7534 |
| logSw: | -2.9146 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.085 |
| InChI Key: | XSOMSDBXKMKNII-UHFFFAOYSA-N |