butyl 4-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]benzoate
butyl 4-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D103-0116 |
| Compound Name: | butyl 4-[(7-methyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]benzoate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)cc2O1)=O)=O)c1ccc(cc1)C(=O)OCCCC |
| Stereo: | ACHIRAL |
| logP: | 5.3065 |
| logD: | 5.2995 |
| logSw: | -5.2684 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.196 |
| InChI Key: | NCMWAIBMUTYNEE-UHFFFAOYSA-N |