(2E)-3-[3,5-dihydroxy-2,2-dimethyl-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]-1-(piperidin-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
(2E)-3-[3,5-dihydroxy-2,2-dimethyl-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]-1-(piperidin-1-yl)prop-2-en-1-one
(2E)-3-[3,5-dihydroxy-2,2-dimethyl-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]-1-(piperidin-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 0080-0053 |
| Compound Name: | (2E)-3-[3,5-dihydroxy-2,2-dimethyl-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]-1-(piperidin-1-yl)prop-2-en-1-one |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C24 H34 N2 O4 |
| Smiles: | CC1(C)C(C(c2c(ccc(/C=C/C(N3CCCCC3)=O)c2O)O1)N1CCCCC1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2985 |
| logD: | 1.732 |
| logSw: | -3.1571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.321 |
| InChI Key: | LTAZBMAAZPCUIX-UHFFFAOYSA-N |