4-chloro-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}phenylalanine
Chemical Structure Depiction of
4-chloro-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}phenylalanine
4-chloro-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}phenylalanine
Compound characteristics
| Compound ID: | Y041-2077 |
| Compound Name: | 4-chloro-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}phenylalanine |
| Molecular Weight: | 499.95 |
| Molecular Formula: | C26 H26 Cl N O7 |
| Smiles: | CC1=CC(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(NC(Cc1ccc(cc1)[Cl])C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.305 |
| logD: | -0.2856 |
| logSw: | -3.6795 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.487 |
| InChI Key: | UTJDAYALMCIMIH-SFHVURJKSA-N |