2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
					Chemical Structure Depiction of
2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
			2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0153 | 
| Compound Name: | 2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | 
| Molecular Weight: | 351.38 | 
| Molecular Formula: | C17 H13 N5 O2 S | 
| Smiles: | C1CCc2c(C1)c(C#N)c(n1c(c3ccc(cc3)[N+]([O-])=O)ncn1)s2 | 
| Stereo: | ACHIRAL | 
| logP: | 4.2563 | 
| logD: | 4.2563 | 
| logSw: | -4.575 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 76.257 | 
| InChI Key: | PBDMWXFVXLBSDC-UHFFFAOYSA-N | 
 
				 
				