N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Chemical Structure Depiction of
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Compound characteristics
| Compound ID: | Y508-8921 |
| Compound Name: | N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine |
| Molecular Weight: | 355.36 |
| Molecular Formula: | C14 H15 F2 N5 O2 S |
| Smiles: | CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2897 |
| logD: | 3.2897 |
| logSw: | -3.5415 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.258 |
| InChI Key: | BXVYHDNXJZRWOH-UHFFFAOYSA-N |