N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}alanine
Chemical Structure Depiction of
N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}alanine
N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}alanine
Compound characteristics
| Compound ID: | Y040-2657 |
| Compound Name: | N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}alanine |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C19 H21 N O6 |
| Smiles: | CC(C(N[C@@H](C)C(O)=O)=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7206 |
| logD: | -1.9281 |
| logSw: | -1.7945 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.578 |
| InChI Key: | SSCQBGTYSDKBPR-VUWPPUDQSA-N |