2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0435 |
| Compound Name: | 2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 578.11 |
| Molecular Formula: | C35 H32 Cl N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)c3cc(ccc3C)[Cl])=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4911 |
| logD: | 7.4911 |
| logSw: | -6.3447 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.64 |
| InChI Key: | PJHBZNQXUFLJNG-UHFFFAOYSA-N |