N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}methionine
Chemical Structure Depiction of
N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}methionine
N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}methionine
Compound characteristics
| Compound ID: | Y040-8399 |
| Compound Name: | N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}methionine |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C21 H25 N O6 S |
| Smiles: | CC(C(N[C@@H](CCSC)C(O)=O)=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.167 |
| logD: | -1.4509 |
| logSw: | -2.3148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.046 |
| InChI Key: | VAUGZIRBCJRMHN-CVRLYYSRSA-N |