2-{[4-(4-methoxybenzene-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-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-{[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y043-3137 |
| Compound Name: | 2-{[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | COc1ccc(cc1)S(N1CCN(CC1)CN1C(C=C2CCCCCC2=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3939 |
| logD: | 2.3828 |
| logSw: | -2.5703 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.053 |
| InChI Key: | OTRNPMAEXQMYME-UHFFFAOYSA-N |