2-chloro-N-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Chemical Structure Depiction of
2-chloro-N-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
2-chloro-N-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | 4476-3195 |
| Compound Name: | 2-chloro-N-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| Molecular Weight: | 573.14 |
| Molecular Formula: | C30 H25 Cl N4 O2 S2 |
| Smiles: | CC(C)c1ccc(C)c(c1)c1c(/C=C2/C(N(C(=S)S2)NC(c2ccccc2[Cl])=O)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.0461 |
| logD: | 6.8646 |
| logSw: | -6.3287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.476 |
| InChI Key: | GOTXFARWXDGRPM-UHFFFAOYSA-N |