4-[5-({9-methyl-4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Chemical Structure Depiction of
4-[5-({9-methyl-4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
4-[5-({9-methyl-4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Compound characteristics
| Compound ID: | 4578-0146 |
| Compound Name: | 4-[5-({9-methyl-4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C20 H20 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCCC(O)=O)C(=S)S1)=O)C2=O)NCC=C |
| Stereo: | ACHIRAL |
| logP: | 0.9541 |
| logD: | -1.8595 |
| logSw: | -1.6957 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.953 |
| InChI Key: | YMFQHENAIYWSBK-UHFFFAOYSA-N |