methyl 2-{bis[(propan-2-yl)oxy]phosphoryl}-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-{bis[(propan-2-yl)oxy]phosphoryl}-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
methyl 2-{bis[(propan-2-yl)oxy]phosphoryl}-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8019-1491 |
| Compound Name: | methyl 2-{bis[(propan-2-yl)oxy]phosphoryl}-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 488.85 |
| Molecular Formula: | C17 H21 Cl F3 N2 O5 P S |
| Smiles: | CC(C)OP(C(C(=O)OC)(C(F)(F)F)Nc1nc2ccc(cc2s1)[Cl])(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0739 |
| logD: | 5.0739 |
| logSw: | -5.3165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.474 |
| InChI Key: | YKJOJACQXFLITD-MRXNPFEDSA-N |