3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl (2S)-[(4-methylbenzene-1-sulfonyl)amino](phenyl)acetate
Chemical Structure Depiction of
3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl (2S)-[(4-methylbenzene-1-sulfonyl)amino](phenyl)acetate
3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl (2S)-[(4-methylbenzene-1-sulfonyl)amino](phenyl)acetate
Compound characteristics
| Compound ID: | Y040-7982 |
| Compound Name: | 3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl (2S)-[(4-methylbenzene-1-sulfonyl)amino](phenyl)acetate |
| Molecular Weight: | 735.47 |
| Molecular Formula: | C31 H21 F3 I N O7 S |
| Smiles: | Cc1ccc(cc1)S(N[C@H](C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1ccc(cc1)I)=O)c1ccccc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 7.7351 |
| logD: | 7.7344 |
| logSw: | -5.7901 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.316 |
| InChI Key: | UISYSCQYTRLXSV-AREMUKBSSA-N |