2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0482 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C21 H19 N5 O4 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 3.56 |
| logSw: | -6.42 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 224.13 |
| InChI Key: | LRUFXWGWBXFICH-UHFFFAOYSA-N |