4-{3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-4-methylphenyl}-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-{3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-4-methylphenyl}-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-{3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-4-methylphenyl}-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0051 |
| Compound Name: | 4-{3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-4-methylphenyl}-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 496.6 |
| Molecular Formula: | C26 H29 F N4 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1)c1ccccc1F)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7644 |
| logD: | 4.7644 |
| logSw: | -4.5026 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.008 |
| InChI Key: | ZEGCLYGADUIVLP-UHFFFAOYSA-N |