4-[(4-methylphenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
4-[(4-methylphenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5710 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 530.63 |
| Molecular Formula: | C33 H30 N4 O3 |
| Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)c3ccccn3)=O)Oc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6529 |
| logD: | 5.6441 |
| logSw: | -5.5264 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.453 |
| InChI Key: | ONKIWXWMJSKOIA-UHFFFAOYSA-N |