N-[(4-chlorophenyl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
N-[(4-chlorophenyl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Compound characteristics
| Compound ID: | F747-0402 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide |
| Molecular Weight: | 500.99 |
| Molecular Formula: | C27 H25 Cl N6 O2 |
| Smiles: | CC1c2c(C(N(CCCC(NCc3ccc(cc3)[Cl])=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.8702 |
| logD: | 3.8701 |
| logSw: | -4.6944 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.584 |
| InChI Key: | RTFNOXZHRUZNFW-UHFFFAOYSA-N |