N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-4-chlorophenylalanine
Chemical Structure Depiction of
N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-4-chlorophenylalanine
N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-4-chlorophenylalanine
Compound characteristics
| Compound ID: | Y041-1914 |
| Compound Name: | N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-4-chlorophenylalanine |
| Molecular Weight: | 509.99 |
| Molecular Formula: | C28 H28 Cl N O6 |
| Smiles: | CC1=C(CCC(NC(Cc2ccc(cc2)[Cl])C(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3842 |
| logD: | 0.7936 |
| logSw: | -4.4849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.958 |
| InChI Key: | NVOIYJCBMDEPKZ-QFIPXVFZSA-N |