2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-3-[(propan-2-yl)amino]prop-2-enenitrile
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-3-[(propan-2-yl)amino]prop-2-enenitrile
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-3-[(propan-2-yl)amino]prop-2-enenitrile
Compound characteristics
| Compound ID: | C201-1247 |
| Compound Name: | 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-3-[(propan-2-yl)amino]prop-2-enenitrile |
| Molecular Weight: | 334.82 |
| Molecular Formula: | C15 H15 Cl N4 O S |
| Smiles: | CC(C)N/C(=C(/C#N)c1nc(c2ccc(cc2)[Cl])no1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.4317 |
| logD: | 4.4315 |
| logSw: | -4.696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.231 |
| InChI Key: | DSUARHSDBIVGQT-UHFFFAOYSA-N |