[5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | Y070-3519 |
| Compound Name: | [5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC(O)=O)C(=S)S1)=O)C2=O)NCC(c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5926 |
| logD: | -2.5264 |
| logSw: | -1.8958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.014 |
| InChI Key: | RQXGDKVVTJMJNG-INIZCTEOSA-N |