butyl 4-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}benzoate
butyl 4-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}benzoate
Compound characteristics
| Compound ID: | 1502-0002 |
| Compound Name: | butyl 4-{[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]amino}benzoate |
| Molecular Weight: | 457.78 |
| Molecular Formula: | C21 H23 Cl3 N2 O3 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C([Cl])([Cl])[Cl])NC(Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6673 |
| logD: | 5.6279 |
| logSw: | -5.9547 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.284 |
| InChI Key: | MYSXMVCVWRACHZ-HXUWFJFHSA-N |