4-[bis(cyanomethyl)carbamoyl]phenyl acetate
Chemical Structure Depiction of
4-[bis(cyanomethyl)carbamoyl]phenyl acetate
4-[bis(cyanomethyl)carbamoyl]phenyl acetate
Compound characteristics
| Compound ID: | Y030-2506 |
| Compound Name: | 4-[bis(cyanomethyl)carbamoyl]phenyl acetate |
| Molecular Weight: | 257.25 |
| Molecular Formula: | C13 H11 N3 O3 |
| Smiles: | CC(=O)Oc1ccc(cc1)C(N(CC#N)CC#N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1082 |
| logD: | -0.1082 |
| logSw: | -1.3861 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.412 |
| InChI Key: | PSKHAGIPWDLDHW-UHFFFAOYSA-N |