4-[4-ethyl-3-(pyrrolidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-ethyl-3-(pyrrolidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[4-ethyl-3-(pyrrolidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F153-1325 |
| Compound Name: | 4-[4-ethyl-3-(pyrrolidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | CCc1ccc(cc1S(N1CCCC1)(=O)=O)C1C2CCCCC=2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.161 |
| logD: | 4.1601 |
| logSw: | -4.0816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.627 |
| InChI Key: | JTJNXHPBRURMHQ-UHFFFAOYSA-N |