4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide
Chemical Structure Depiction of
4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide
4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | Y501-4694 |
| Compound Name: | 4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide |
| Molecular Weight: | 551.55 |
| Molecular Formula: | C29 H31 Br N2 O2 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C#N)c(NC(c1ccc(COc3ccccc3[Br])cc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 8.6563 |
| logD: | 5.9505 |
| logSw: | -6.2987 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.746 |
| InChI Key: | DXNYNKXSEAYUPX-UHFFFAOYSA-N |