N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-3797 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 419.55 |
| Molecular Formula: | C23 H25 N5 O S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2ccc(cc2)C(C)C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.37 |
| logD: | 4.53 |
| logSw: | -6.86 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 141.24 |
| InChI Key: | XANCRWAPKZSRNH-UHFFFAOYSA-N |