ethyl 4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}benzoate
ethyl 4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | F129-0456 |
| Compound Name: | ethyl 4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}benzoate |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C26 H23 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(NC1=C(c2ccccc2OC1=O)NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5162 |
| logD: | 4.0412 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.849 |
| InChI Key: | AQEUNGNMUNXNRI-UHFFFAOYSA-N |