O-(4-bromophenyl) S-(12-methyl-18-norcholest-5-en-3-yl) carbonothioate
Chemical Structure Depiction of
O-(4-bromophenyl) S-(12-methyl-18-norcholest-5-en-3-yl) carbonothioate
O-(4-bromophenyl) S-(12-methyl-18-norcholest-5-en-3-yl) carbonothioate
Compound characteristics
| Compound ID: | 0199-0128 |
| Compound Name: | O-(4-bromophenyl) S-(12-methyl-18-norcholest-5-en-3-yl) carbonothioate |
| Molecular Weight: | 601.73 |
| Molecular Formula: | C34 H49 Br O2 S |
| Smiles: | CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CC(C)C12)SC(=O)Oc1ccc(cc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 10.7238 |
| logD: | 10.7238 |
| logSw: | -5.8397 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 21.2759 |
| InChI Key: | BHMRHMIJXQLYMK-UHFFFAOYSA-N |