2-(4-ethylpiperazin-1-yl)-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-ethylpiperazin-1-yl)-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-ethylpiperazin-1-yl)-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0289 |
| Compound Name: | 2-(4-ethylpiperazin-1-yl)-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Smiles: | CCN1CCN(CC1)C1=C(/C=C2/C(N(CC=C)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3409 |
| logD: | 1.9106 |
| logSw: | -2.1131 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.043 |
| InChI Key: | LWMVPORSDVYBRS-UHFFFAOYSA-N |