N-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}alanine
Chemical Structure Depiction of
N-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}alanine
N-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}alanine
Compound characteristics
| Compound ID: | Y042-8605 |
| Compound Name: | N-{2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoyl}alanine |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C18 H19 N O6 |
| Smiles: | CC(C(N[C@H](C)C(O)=O)=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8334 |
| logD: | -2.8153 |
| logSw: | -2.1909 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.492 |
| InChI Key: | GXJVMJBXZYQVCI-RGURZIINSA-N |