4-({[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
4-({[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Compound characteristics
| Compound ID: | F019-3331 |
| Compound Name: | 4-({[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C23 H18 N4 O3 S |
| Smiles: | COc1cccc2cc(c3nnc(n3CC=C)SCC(c3ccc(C#N)cc3)=O)oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0729 |
| logD: | 4.0729 |
| logSw: | -4.2327 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.679 |
| InChI Key: | UOBKAKCRZOLOLE-UHFFFAOYSA-N |