N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-5541 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 531.5 |
| Molecular Formula: | C27 H28 Cl2 N2 O3 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C#N)c(NC(c1ccc(COc3cc(ccc3[Cl])[Cl])o1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 9.1875 |
| logD: | 7.2093 |
| logSw: | -7.257 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.587 |
| InChI Key: | XXOZTWUDCDVFBX-UHFFFAOYSA-N |