3-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide
Chemical Structure Depiction of
3-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide
3-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | Y501-4701 |
| Compound Name: | 3-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)benzamide |
| Molecular Weight: | 507.09 |
| Molecular Formula: | C29 H31 Cl N2 O2 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C#N)c(NC(c1cccc(COc3ccc(cc3)[Cl])c1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 8.726 |
| logD: | 5.583 |
| logSw: | -7.0208 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.659 |
| InChI Key: | ZJXTVJKWZNBKJI-UHFFFAOYSA-N |