4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
Compound ID: | 3229-1176 |
Compound Name: | 4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate |
Molecular Weight: | 459.6 |
Molecular Formula: | C22 H21 N O4 S3 |
Smiles: | COc1cc(\C=C2/C(N(C3CCCCC3)C(=S)S2)=O)ccc1OC(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 5.4725 |
logD: | 5.4725 |
logSw: | -5.4015 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 44.777 |
InChI Key: | QGNMHMHCCKSOFH-UHFFFAOYSA-N |