5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Chemical Structure Depiction of
5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Compound characteristics
| Compound ID: | G598-0003 |
| Compound Name: | 5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Smiles: | CC1c2c(C(N(CC(N3CCCCCC3)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.2679 |
| logD: | 3.2679 |
| logSw: | -3.2729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.857 |
| InChI Key: | VJHMMVYFYCSQKF-UHFFFAOYSA-N |