[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-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-[4-(2-hydroxyethyl)piperazin-1-yl]-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-[4-(2-hydroxyethyl)piperazin-1-yl]-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: | 5815-0906 |
| Compound Name: | [5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-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: | 489.57 |
| Molecular Formula: | C21 H23 N5 O5 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C1/C(N(CC(O)=O)C(=S)S1)=O)C2=O)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | -0.5091 |
| logD: | -3.628 |
| logSw: | -1.0391 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.358 |
| InChI Key: | NJNYUNMJFLRDRF-UHFFFAOYSA-N |