2-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0310 |
| Compound Name: | 2-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C33 H29 N3 O5 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)C(c3ccco3)=O)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7814 |
| logD: | 4.7814 |
| logSw: | -4.6024 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.716 |
| InChI Key: | JKUXPBXNSSKUOK-UHFFFAOYSA-N |