1-butyl-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
1-butyl-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
1-butyl-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | Y070-0408 |
| Compound Name: | 1-butyl-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C25 H26 N2 O4 S2 |
| Smiles: | CCCCN1C(C(=C2/C(N(CCc3ccc(c(c3)OC)OC)C(=S)S2)=O)/c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5621 |
| logD: | 4.5621 |
| logSw: | -4.2354 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.4 |
| InChI Key: | PTVLNSCWAPLOCX-UHFFFAOYSA-N |