4-[(4-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
4-[(4-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5751 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C28 H26 N2 O3 |
| Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCCC3)=O)Oc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0627 |
| logD: | 5.0627 |
| logSw: | -4.6625 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.047 |
| InChI Key: | HHSWSSCTWNXTPU-UHFFFAOYSA-N |