N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Chemical Structure Depiction of
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Compound characteristics
| Compound ID: | Y040-8374 |
| Compound Name: | N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C27 H31 N O6 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(C(C)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6834 |
| logD: | 0.0962 |
| logSw: | -4.0542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.894 |
| InChI Key: | LRBDFTCHXNSVFG-YHVAZXABSA-N |