N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)isoleucine
Chemical Structure Depiction of
N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)isoleucine
N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)isoleucine
Compound characteristics
| Compound ID: | Y041-5146 |
| Compound Name: | N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetyl)isoleucine |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C27 H29 N O8 |
| Smiles: | CC[C@H](C)[C@H](C(O)=O)NC(COc1ccc2C(C(=C(C)Oc2c1)c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8504 |
| logD: | -1.7367 |
| logSw: | -2.6387 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.211 |
| InChI Key: | HJACLWZCFFWBIQ-BZQUYTCOSA-N |