6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Compound characteristics
Compound ID: | F976-0304 |
Compound Name: | 6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one |
Molecular Weight: | 424.52 |
Molecular Formula: | C22 H24 N4 O3 S |
Smiles: | Cc1ccc(cc1)S(N1CCCN(CC1)C1C=CC(N(c2ccccc2)N=1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0738 |
logD: | 3.0738 |
logSw: | -3.3789 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.555 |
InChI Key: | RUVRDHBHHPVOJU-UHFFFAOYSA-N |