4-[({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
4-[({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
4-[({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8017-0538 |
| Compound Name: | 4-[({5-[(morpholin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | C1COCCN1Cc1nnc(n1c1ccccc1)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9652 |
| logD: | 1.9651 |
| logSw: | -2.1912 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.658 |
| InChI Key: | JXOMQFWDACENAW-UHFFFAOYSA-N |