butyl 4-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate
butyl 4-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 3002-0193 |
| Compound Name: | butyl 4-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C21 H18 Br N O5 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2032 |
| logD: | 5.1411 |
| logSw: | -5.0956 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.299 |
| InChI Key: | WJEOVFOJBXYFQB-UHFFFAOYSA-N |