3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-cyclopropylprop-2-en-1-one
Chemical Structure Depiction of
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-cyclopropylprop-2-en-1-one
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-cyclopropylprop-2-en-1-one
Compound characteristics
| Compound ID: | 3966-5059 |
| Compound Name: | 3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-cyclopropylprop-2-en-1-one |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C21 H20 N2 O2 S |
| Smiles: | COc1ccc(/C=C/C(C2CC2)=O)cc1CSc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.4831 |
| logD: | 4.4759 |
| logSw: | -4.4102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.109 |
| InChI Key: | WHYNNNDIYNCTCH-UHFFFAOYSA-N |