N'-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide
Chemical Structure Depiction of
N'-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide
N'-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide
Compound characteristics
| Compound ID: | 3269-0450 |
| Compound Name: | N'-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide |
| Molecular Weight: | 576.74 |
| Molecular Formula: | C32 H28 N6 O S2 |
| Smiles: | Cc1cc(/C=N/NC(c2ccc(cc2)Nc2nc(cs2)c2ccccc2)=O)c(C)n1c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 7.9385 |
| logD: | 7.9337 |
| logSw: | -5.7385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.952 |
| InChI Key: | OOUPLOQCEIAECF-UHFFFAOYSA-N |