N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-D-alanine
Chemical Structure Depiction of
N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-D-alanine
N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-D-alanine
Compound characteristics
| Compound ID: | Y040-4283 |
| Compound Name: | N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-D-alanine |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H21 N O6 |
| Smiles: | CC1=C(CC(N[C@H](C)C(O)=O)=O)C(=O)Oc2cc3c(cc12)c1CCCCc1o3 |
| Stereo: | ABSOLUTE |
| logP: | 2.1428 |
| logD: | -1.5059 |
| logSw: | -2.4883 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.318 |
| InChI Key: | BYZHIYDJQGXYJS-NSHDSACASA-N |