4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0465 |
| Compound Name: | 4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C32 H29 N5 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)c3ncccn3)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3732 |
| logD: | 5.3731 |
| logSw: | -5.3822 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.304 |
| InChI Key: | GMHDOQYZECJRCE-UHFFFAOYSA-N |