4-chloro-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]phenylalanine
Chemical Structure Depiction of
4-chloro-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]phenylalanine
4-chloro-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]phenylalanine
Compound characteristics
| Compound ID: | D715-1233 |
| Compound Name: | 4-chloro-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]phenylalanine |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C23 H22 Cl N O6 |
| Smiles: | CC1=C(CCC(NC(Cc2ccc(cc2)[Cl])C(O)=O)=O)C(=O)Oc2c1ccc(c2C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6363 |
| logD: | -0.9543 |
| logSw: | -3.3033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.631 |
| InChI Key: | KWHODSGTNWCDHR-SFHVURJKSA-N |