methyl 2-[bis(2-methylpropoxy)phosphoryl]-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-[bis(2-methylpropoxy)phosphoryl]-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
methyl 2-[bis(2-methylpropoxy)phosphoryl]-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8019-1492 |
| Compound Name: | methyl 2-[bis(2-methylpropoxy)phosphoryl]-N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 516.9 |
| Molecular Formula: | C19 H25 Cl F3 N2 O5 P S |
| Smiles: | CC(C)COP(C(C(=O)OC)(C(F)(F)F)Nc1nc2ccc(cc2s1)[Cl])(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2214 |
| logD: | 6.2214 |
| logSw: | -6.2364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.111 |
| InChI Key: | MLTZGTCWAFNSSR-GOSISDBHSA-N |