N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-3796 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2ccc(cc2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.01 |
| logD: | 3.17 |
| logSw: | -6.25 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.01 |
| InChI Key: | GQGSXOJMKWODFD-UHFFFAOYSA-N |