2-{[1-(4-methoxybenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[1-(4-methoxybenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
2-{[1-(4-methoxybenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | K781-1363 |
Compound Name: | 2-{[1-(4-methoxybenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide |
Molecular Weight: | 473.59 |
Molecular Formula: | C21 H19 N3 O4 S3 |
Smiles: | COc1ccc(cc1)S(n1c2ccccc2nc1SCC(NCc1cccs1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2224 |
logD: | 4.2224 |
logSw: | -4.2788 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.898 |
InChI Key: | LWCBCJUNVRAQTM-UHFFFAOYSA-N |