S-(cholest-5-en-3-yl) 2-chloroheptanethioate
Chemical Structure Depiction of
S-(cholest-5-en-3-yl) 2-chloroheptanethioate
S-(cholest-5-en-3-yl) 2-chloroheptanethioate
Compound characteristics
| Compound ID: | 0242-0988 |
| Compound Name: | S-(cholest-5-en-3-yl) 2-chloroheptanethioate |
| Molecular Weight: | 549.34 |
| Molecular Formula: | C34 H57 Cl O S |
| Smiles: | CCCCCC(C(=O)SC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 11.412 |
| logD: | 11.412 |
| logSw: | -6.0944 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 13.8302 |
| InChI Key: | OUFIJZVLVZAQTQ-UHFFFAOYSA-N |