2-[(3-bromophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-[(3-bromophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-[(3-bromophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0399 |
| Compound Name: | 2-[(3-bromophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 333.23 |
| Molecular Formula: | C16 H17 Br N2 O |
| Smiles: | C1CCC2=CC(N(Cc3cccc(c3)[Br])N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7604 |
| logD: | 3.7604 |
| logSw: | -3.9692 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.5639 |
| InChI Key: | XHTUKTMYGOCLJE-UHFFFAOYSA-N |