4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate
Chemical Structure Depiction of
4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate
4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate
Compound characteristics
| Compound ID: | Y040-7978 |
| Compound Name: | 4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]isoleucinate |
| Molecular Weight: | 569.53 |
| Molecular Formula: | C30 H26 F3 N O7 |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1ccccc1)=O)NC(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9439 |
| logD: | 6.9439 |
| logSw: | -5.7574 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.486 |
| InChI Key: | ABHCKHSUSDKIHG-KOSHJBKYSA-N |