N-{2-chloro-4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{2-chloro-4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide
N-{2-chloro-4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | V007-9229 |
| Compound Name: | N-{2-chloro-4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 633.12 |
| Molecular Formula: | C32 H29 Cl N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(Nc1ccc(cc1[Cl])S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0661 |
| logD: | 3.0419 |
| logSw: | -3.6968 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.751 |
| InChI Key: | AAVKRNDBHQPFJI-UHFFFAOYSA-N |