6-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]pyridazin-3(2H)-one
6-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M100-0085 |
| Compound Name: | 6-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | C1CN(Cc2ccccc12)S(c1cc(cs1)C1C=CC(NN=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0145 |
| logD: | 3.0129 |
| logSw: | -3.5226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.767 |
| InChI Key: | TXUPTDZHWGAXKE-UHFFFAOYSA-N |