6-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3(2H)-one
6-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0449 |
| Compound Name: | 6-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C22 H22 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)N1C(C=CC(=N1)N1CCCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1147 |
| logD: | 3.1147 |
| logSw: | -3.3296 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.507 |
| InChI Key: | QAIUXTVEMNKCNI-UHFFFAOYSA-N |