2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-0195 |
| Compound Name: | 2-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 416.58 |
| Molecular Formula: | C23 H32 N2 O3 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C#N)c(NC(C1CCCCC1C(O)=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9361 |
| logD: | 3.2853 |
| logSw: | -5.5109 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.032 |
| InChI Key: | RFVZUGDXUBVTKT-UHFFFAOYSA-N |