4-{[4-(azepane-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
4-{[4-(azepane-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | D534-0900 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)phenyl]methyl}-6-methylpyridazin-3(2H)-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CC1C=C(Cc2ccc(cc2)S(N2CCCCCC2)(=O)=O)C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7738 |
| logD: | 2.7738 |
| logSw: | -3.3095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.648 |
| InChI Key: | VFCNNFPVPRUYJE-UHFFFAOYSA-N |