3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Chemical Structure Depiction of
3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Compound characteristics
| Compound ID: | Y040-8044 |
| Compound Name: | 3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate |
| Molecular Weight: | 508.51 |
| Molecular Formula: | C25 H20 N2 O8 S |
| Smiles: | Cc1ccc(cc1)S(N[C@@H](C)C(=O)Oc1ccc2C(C(=COc2c1)c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1176 |
| logD: | 4.1175 |
| logSw: | -4.3825 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.026 |
| InChI Key: | ABYAUGABWGSJGE-INIZCTEOSA-N |