4-[(4-chlorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
4-[(4-chlorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6799 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 552.03 |
| Molecular Formula: | C31 H26 Cl N5 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3213 |
| logD: | 5.3213 |
| logSw: | -6.1593 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.304 |
| InChI Key: | GMQQBMBZLSXEGP-UHFFFAOYSA-N |