2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5338 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccn2c2cccc(c2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.74 |
| logD: | 2.9 |
| logSw: | -5.38 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 220.6 |
| InChI Key: | MRHKNMSVASTBJR-UHFFFAOYSA-N |