S-(cholest-5-en-3-yl) O-(4-nitrophenyl) carbonothioate
Chemical Structure Depiction of
S-(cholest-5-en-3-yl) O-(4-nitrophenyl) carbonothioate
S-(cholest-5-en-3-yl) O-(4-nitrophenyl) carbonothioate
Compound characteristics
| Compound ID: | 0242-1063 |
| Compound Name: | S-(cholest-5-en-3-yl) O-(4-nitrophenyl) carbonothioate |
| Molecular Weight: | 567.83 |
| Molecular Formula: | C34 H49 N O4 S |
| Smiles: | CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)SC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.913 |
| logD: | 9.913 |
| logSw: | -5.885 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.658 |
| InChI Key: | YWOCDRCHNHTNKI-UHFFFAOYSA-N |