3-(4-methylbenzene-1-sulfonyl)-2-oxo-N-(2-phenylethyl)-2H-1-benzopyran-6-carboxamide
Chemical Structure Depiction of
3-(4-methylbenzene-1-sulfonyl)-2-oxo-N-(2-phenylethyl)-2H-1-benzopyran-6-carboxamide
3-(4-methylbenzene-1-sulfonyl)-2-oxo-N-(2-phenylethyl)-2H-1-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | C566-0316 |
| Compound Name: | 3-(4-methylbenzene-1-sulfonyl)-2-oxo-N-(2-phenylethyl)-2H-1-benzopyran-6-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H21 N O5 S |
| Smiles: | Cc1ccc(cc1)S(C1=Cc2cc(ccc2OC1=O)C(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8629 |
| logD: | 3.8629 |
| logSw: | -4.0445 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.916 |
| InChI Key: | QEMFETLNUHFNEZ-UHFFFAOYSA-N |