2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
Compound ID: | C370-4823 |
Compound Name: | 2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
Molecular Weight: | 379.4 |
Molecular Formula: | C18 H13 N5 O3 S |
Smiles: | Cc1csc(NC(C(=C/c2cccn2c2cccc(c2)[N+]([O-])=O)\C#N)=O)n1 |
Stereo: | ACHIRAL |
logP: | 3.86 |
logD: | 2.89 |
logSw: | -4.75 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 191.23 |
InChI Key: | MBPGJMQMUIRQGR-UHFFFAOYSA-N |