1-(adamantan-1-yl)-3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)prop-2-en-1-one
1-(adamantan-1-yl)-3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 3966-5010 |
| Compound Name: | 1-(adamantan-1-yl)-3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C28 H30 N2 O2 S |
| Smiles: | COc1ccc(/C=C/C(C23CC4CC(CC(C4)C3)C2)=O)cc1CSc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 7.0131 |
| logD: | 7.0058 |
| logSw: | -5.7475 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.619 |
| InChI Key: | MVTNDQYHVUKHLO-UHFFFAOYSA-N |