3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Chemical Structure Depiction of
3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Compound characteristics
| Compound ID: | Y040-8042 |
| Compound Name: | 3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate |
| Molecular Weight: | 550.59 |
| Molecular Formula: | C28 H26 N2 O8 S |
| Smiles: | Cc1ccc(cc1)S(NCCCCCC(=O)Oc1ccc2C(C(=COc2c1)c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8816 |
| logD: | 4.8816 |
| logSw: | -4.4431 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.896 |
| InChI Key: | SPKLRHGXKJKXES-UHFFFAOYSA-N |