4-[3-(4-benzylpiperazine-1-sulfonyl)-4-ethylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(4-benzylpiperazine-1-sulfonyl)-4-ethylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[3-(4-benzylpiperazine-1-sulfonyl)-4-ethylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F153-1398 |
| Compound Name: | 4-[3-(4-benzylpiperazine-1-sulfonyl)-4-ethylphenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | CCc1ccc(cc1S(N1CCN(CC1)Cc1ccccc1)(=O)=O)C1C2CCCCC=2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8941 |
| logD: | 4.8863 |
| logSw: | -4.5672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.802 |
| InChI Key: | LWQIGTDCIVBFOT-UHFFFAOYSA-N |