6-[4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Chemical Structure Depiction of
6-[4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
6-[4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Compound characteristics
| Compound ID: | Y070-0819 |
| Compound Name: | 6-[4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | C=CCNC1=C(/C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6938 |
| logD: | -1.1343 |
| logSw: | -2.0725 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.932 |
| InChI Key: | JIHOCCRDESSXRS-UHFFFAOYSA-N |