2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-1-[rel-(1R,5aS,9aR,11aR)-2',2',9a,11a-tetramethylhexadecahydrospiro[cyclopenta[a]phenanthrene-1,5'-[1,3]oxazolidin]-3'-yl]ethan-1-one--hydrogen chloride (1/1 )
Chemical Structure Depiction of
2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-1-[rel-(1R,5aS,9aR,11aR)-2',2',9a,11a-tetramethylhexadecahydrospiro[cyclopenta[a]phenanthrene-1,5'-[1,3]oxazolidin]-3'-yl]ethan-1-one--hydrogen chloride (1/1 )
2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-1-[rel-(1R,5aS,9aR,11aR)-2',2',9a,11a-tetramethylhexadecahydrospiro[cyclopenta[a]phenanthrene-1,5'-[1,3]oxazolidin]-3'-yl]ethan-1-one--hydrogen chloride (1/1 )
Compound characteristics
| Compound ID: | 8011-9738 |
| Compound Name: | 2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-1-[rel-(1R,5aS,9aR,11aR)-2',2',9a,11a-tetramethylhexadecahydrospiro[cyclopenta[a]phenanthrene-1,5'-[1,3]oxazolidin]-3'-yl]ethan-1-one--hydrogen chloride (1/1 ) |
| Molecular Weight: | 524.21 |
| Molecular Formula: | C28 H45 N3 O2 S |
| Salt: | HCl |
| Smiles: | [H][C@@]12CCCC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@]34CN(C(CSC3NCCN=3)=O)C(C)(C)O4)C2CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2397 |
| logD: | 3.4522 |
| logSw: | -5.4813 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.526 |
| InChI Key: | FJIROWAKFHDSJC-XBVWDWAZSA-N |