N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-D-valine
Chemical Structure Depiction of
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-D-valine
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-D-valine
Compound characteristics
| Compound ID: | D715-0530 |
| Compound Name: | N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-D-valine |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C19 H21 N O6 |
| Smiles: | CC(C)[C@H](C(O)=O)NC(COc1ccc2C3CCCC=3C(=O)Oc2c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6724 |
| logD: | -2.9147 |
| logSw: | -2.234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.177 |
| InChI Key: | ZKMYAUUTYOJRFL-QGZVFWFLSA-N |