5-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-6-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3-methylbutanoate
Chemical Structure Depiction of
5-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-6-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3-methylbutanoate
5-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-6-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3-methylbutanoate
Compound characteristics
| Compound ID: | 0080-0033 |
| Compound Name: | 5-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-6-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3-methylbutanoate |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C27 H38 N2 O7 |
| Smiles: | CC(C)CC(=O)OC1C(c2c(ccc(/C=C/C(N3CCOCC3)=O)c2O)OC1(C)C)N1CCOCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6756 |
| logD: | 2.6442 |
| logSw: | -2.72 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.083 |
| InChI Key: | HABFVMRKJUPSNL-SOFGYWHQSA-N |