5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolidin-4-one
5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 8015-9059 |
| Compound Name: | 5-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-3-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1,3-thiazolidin-4-one |
| Molecular Weight: | 537.64 |
| Molecular Formula: | C29 H27 N7 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1c(/C=C2/C(N(C(=N)S2)c2c(non2)n2cccc2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.9777 |
| logD: | 6.9777 |
| logSw: | -6.0799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.505 |
| InChI Key: | CGSXIMIHTSPEFF-UHFFFAOYSA-N |