3-[(3-chloro-4-methylanilino)methyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-[(3-chloro-4-methylanilino)methyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3-[(3-chloro-4-methylanilino)methyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 8002-9235 |
| Compound Name: | 3-[(3-chloro-4-methylanilino)methyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 416.99 |
| Molecular Formula: | C21 H21 Cl N2 O S2 |
| Smiles: | CC(C)c1ccc(\C=C2/C(N(CNc3ccc(C)c(c3)[Cl])C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8697 |
| logD: | 6.8697 |
| logSw: | -6.4945 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.6021 |
| InChI Key: | IBPQXGGVGCOZPK-UHFFFAOYSA-N |