methyl 4-{[4-(cyanomethyl)phenyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(cyanomethyl)phenyl]carbamoyl}benzoate
methyl 4-{[4-(cyanomethyl)phenyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | 8013-1261 |
| Compound Name: | methyl 4-{[4-(cyanomethyl)phenyl]carbamoyl}benzoate |
| Molecular Weight: | 294.31 |
| Molecular Formula: | C17 H14 N2 O3 |
| Smiles: | COC(c1ccc(cc1)C(Nc1ccc(CC#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5442 |
| logD: | 2.5441 |
| logSw: | -2.9198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.995 |
| InChI Key: | FRWFINMJGFOEOB-UHFFFAOYSA-N |