4-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0099 |
| Compound Name: | 4-[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCc2ccccc2C1)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9033 |
| logD: | 4.9033 |
| logSw: | -4.5025 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.711 |
| InChI Key: | QGXPWKNNXXKGFJ-UHFFFAOYSA-N |