4-[3-(4-benzylpiperidine-1-sulfonyl)-4-methylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(4-benzylpiperidine-1-sulfonyl)-4-methylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[3-(4-benzylpiperidine-1-sulfonyl)-4-methylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D315-1912 |
| Compound Name: | 4-[3-(4-benzylpiperidine-1-sulfonyl)-4-methylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCC(CC1)Cc1ccccc1)(=O)=O)C1C2CCCCC=2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2033 |
| logD: | 6.2024 |
| logSw: | -5.4735 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.99 |
| InChI Key: | PPRFJPATFZITQE-UHFFFAOYSA-N |