7-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C887-1733 |
| Compound Name: | 7-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-5-methylfuro[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: | CCC(C(N1CCN(CC1)c1cccc(C)c1C)=O)N1C(c2cc3c(cco3)n2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1355 |
| logD: | 4.1354 |
| logSw: | -4.2012 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.845 |
| InChI Key: | PTRPLTSTTAOQKS-IBGZPJMESA-N |