N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5395 |
| Compound Name: | N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C26 H24 N6 O3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.68 |
| logD: | 4.89 |
| logSw: | -7.65 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 215.18 |
| InChI Key: | UFNOCPUBGMTVMH-UHFFFAOYSA-N |