6-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one
6-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | J001-0927 |
| Compound Name: | 6-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cc1cc(cc(c1C)S(N1CCc2ccccc2C1)(=O)=O)C1C=CC(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0987 |
| logD: | 4.0984 |
| logSw: | -4.1422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.749 |
| InChI Key: | VBCBTLRTMQZCSD-UHFFFAOYSA-N |