S-(cholest-5-en-3-yl) 2-phenoxypropanethioate
Chemical Structure Depiction of
S-(cholest-5-en-3-yl) 2-phenoxypropanethioate
S-(cholest-5-en-3-yl) 2-phenoxypropanethioate
Compound characteristics
| Compound ID: | 0242-0990 |
| Compound Name: | S-(cholest-5-en-3-yl) 2-phenoxypropanethioate |
| Molecular Weight: | 550.89 |
| Molecular Formula: | C36 H54 O2 S |
| Smiles: | CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)SC(C(C)Oc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 10.3138 |
| logD: | 10.3138 |
| logSw: | -5.8724 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.3477 |
| InChI Key: | UXAMHORJWKNWPU-UHFFFAOYSA-N |