(5-{1-[2-(3-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{1-[2-(3-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{1-[2-(3-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | Y070-1143 |
| Compound Name: | (5-{1-[2-(3-methylanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C22 H17 N3 O5 S2 |
| Smiles: | Cc1cccc(c1)NC(CN1C(C(=C2/C(N(CC(O)=O)C(=S)S2)=O)/c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8872 |
| logD: | -1.2318 |
| logSw: | -2.943 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.716 |
| InChI Key: | XKCXKEBZTDNOFH-UHFFFAOYSA-N |