N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-aspartic acid
Chemical Structure Depiction of
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-aspartic acid
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-aspartic acid
Compound characteristics
| Compound ID: | Y042-2740 |
| Compound Name: | N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-aspartic acid |
| Molecular Weight: | 389.36 |
| Molecular Formula: | C19 H19 N O8 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OCC(N[C@@H](CC(O)=O)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1057 |
| logD: | -3.9541 |
| logSw: | -1.061 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.926 |
| InChI Key: | KYVDABVJLWBRJP-LBPRGKRZSA-N |