rel-(8xi,14xi)-9xi-cholest-5-en-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate
Chemical Structure Depiction of
rel-(8xi,14xi)-9xi-cholest-5-en-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate
rel-(8xi,14xi)-9xi-cholest-5-en-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate
Compound characteristics
| Compound ID: | 8015-7733 |
| Compound Name: | rel-(8xi,14xi)-9xi-cholest-5-en-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate |
| Molecular Weight: | 566.67 |
| Molecular Formula: | C31 H45 Cl2 N O2 S |
| Smiles: | CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(c1c(c(sn1)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.4991 |
| logD: | 9.4991 |
| logSw: | -6.7438 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.712 |
| InChI Key: | QWCVPBCPRUHISS-UHBQTDKVSA-N |