4-{[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
Chemical Structure Depiction of
4-{[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
4-{[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | D534-0913 |
| Compound Name: | 4-{[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CC1C=C(Cc2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3169 |
| logD: | 3.3169 |
| logSw: | -3.6544 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.979 |
| InChI Key: | SHHFSALXSCPONB-UHFFFAOYSA-N |