N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamide
N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | 8012-7568 |
| Compound Name: | N-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 588.73 |
| Molecular Formula: | C32 H36 N4 O5 S |
| Smiles: | CC(C)c1cc(c(C)cc1O)NC(CN1C(c2ccccc2C(c2ccc(C)c(c2)S(N2CCCCC2)(=O)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5647 |
| logD: | 4.5646 |
| logSw: | -3.9936 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.906 |
| InChI Key: | MXCREQYUPKHICT-UHFFFAOYSA-N |