N-(2-chloroethyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-chloroethyl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-(2-chloroethyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 0096-0281 |
| Compound Name: | N-(2-chloroethyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 251.67 |
| Molecular Formula: | C12 H10 Cl N O3 |
| Smiles: | C(C[Cl])NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4919 |
| logD: | 1.4917 |
| logSw: | -1.8803 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.687 |
| InChI Key: | BACZDTYEAAXMEM-UHFFFAOYSA-N |