5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl 2-methylbutanoate
Chemical Structure Depiction of
5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl 2-methylbutanoate
5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl 2-methylbutanoate
Compound characteristics
Compound ID: | 0407-0066 |
Compound Name: | 5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl 2-methylbutanoate |
Molecular Weight: | 498.66 |
Molecular Formula: | C29 H42 N2 O5 |
Smiles: | CCC(C)C(=O)OC1C(c2c(ccc(/C=C/C(N3CCCCC3)=O)c2O)OC1(C)C)N1CCCCC1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.9953 |
logD: | 3.6299 |
logSw: | -4.4103 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.861 |
InChI Key: | DTYTUVZVFGDVES-UHFFFAOYSA-N |