4-[3-(4-benzylpiperazine-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(4-benzylpiperazine-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[3-(4-benzylpiperazine-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0147 |
| Compound Name: | 4-[3-(4-benzylpiperazine-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1)Cc1ccccc1)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2669 |
| logD: | 4.26 |
| logSw: | -4.1738 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.589 |
| InChI Key: | YERSQSMASQEMSZ-UHFFFAOYSA-N |