rel-(8xi,14xi,22E)-9xi-stigmasta-5,22-dien-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate
Chemical Structure Depiction of
rel-(8xi,14xi,22E)-9xi-stigmasta-5,22-dien-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate
rel-(8xi,14xi,22E)-9xi-stigmasta-5,22-dien-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate
Compound characteristics
| Compound ID: | 8015-7734 |
| Compound Name: | rel-(8xi,14xi,22E)-9xi-stigmasta-5,22-dien-3-yl 4,5-dichloro-1,2-thiazole-3-carboxylate |
| Molecular Weight: | 592.71 |
| Molecular Formula: | C33 H47 Cl2 N O2 S |
| Smiles: | CC[C@@H](/C=C/[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(c1c(c(sn1)[Cl])[Cl])=O)C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.8978 |
| logD: | 9.8978 |
| logSw: | -6.6972 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.712 |
| InChI Key: | DKJOOAXQPHJRRY-MRJQMWFKSA-N |