2-(3,4-dimethylphenyl)-6-[4-(thiophene-2-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-6-[4-(thiophene-2-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
2-(3,4-dimethylphenyl)-6-[4-(thiophene-2-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0216 |
| Compound Name: | 2-(3,4-dimethylphenyl)-6-[4-(thiophene-2-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1C)N1C(C=CC(=N1)N1CCCN(CC1)S(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5157 |
| logD: | 3.5157 |
| logSw: | -3.6755 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.573 |
| InChI Key: | JZEQCVLGYCYXEX-UHFFFAOYSA-N |