2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0742 |
| Compound Name: | 2-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 559.67 |
| Molecular Formula: | C35 H33 N3 O4 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)c3cccc(c3)OC)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3165 |
| logD: | 6.3165 |
| logSw: | -5.5683 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.485 |
| InChI Key: | QDTQLBBDHKJKLF-UHFFFAOYSA-N |