2-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y043-3136 |
| Compound Name: | 2-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C20 H25 Cl N4 O3 S |
| Smiles: | C1CCC2=CC(N(CN3CCN(CC3)S(c3ccc(cc3)[Cl])(=O)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0062 |
| logD: | 2.9951 |
| logSw: | -3.5465 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.509 |
| InChI Key: | RTOHLAFODQRUGR-UHFFFAOYSA-N |