4-[(3-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
4-[(3-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1231 |
| Compound Name: | 4-[(3-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 574.64 |
| Molecular Formula: | C34 H30 N4 O5 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2557 |
| logD: | 6.2557 |
| logSw: | -5.5493 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.323 |
| InChI Key: | ZUHDJNFJEBLAHQ-UHFFFAOYSA-N |