2-methyl-4-[4-methyl-3-(4-phenylpiperazine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
2-methyl-4-[4-methyl-3-(4-phenylpiperazine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
2-methyl-4-[4-methyl-3-(4-phenylpiperazine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0096 |
| Compound Name: | 2-methyl-4-[4-methyl-3-(4-phenylpiperazine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1)c1ccccc1)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5858 |
| logD: | 4.5858 |
| logSw: | -4.3667 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.309 |
| InChI Key: | MHRQTFIQCHFKDJ-UHFFFAOYSA-N |