2-[2-(azepan-1-yl)-2-oxoethyl]-6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
Chemical Structure Depiction of
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
Compound characteristics
| Compound ID: | C891-2015 |
| Compound Name: | 2-[2-(azepan-1-yl)-2-oxoethyl]-6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one |
| Molecular Weight: | 426.95 |
| Molecular Formula: | C23 H27 Cl N4 O2 |
| Smiles: | Cc1c2C=NN(CC(N3CCCCCC3)=O)C(c2c(C)n1Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2696 |
| logD: | 3.2696 |
| logSw: | -3.7006 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.651 |
| InChI Key: | ITZJAOQESDXALN-UHFFFAOYSA-N |