3-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
3-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-0427 |
| Compound Name: | 3-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 428.59 |
| Molecular Formula: | C24 H32 N2 O3 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C#N)c(NC(C1C3CCC(C3)C1C(O)=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8449 |
| logD: | 3.2249 |
| logSw: | -5.5965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.685 |
| InChI Key: | CPTZNPORQSWBKT-UHFFFAOYSA-N |