2-(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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: | 4618-0258 |
| Compound Name: | 2-(4-benzylpiperazin-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: | 517.67 |
| Molecular Formula: | C27 H27 N5 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C1/C(N(CC=C)C(=S)S1)=O)C2=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4944 |
| logD: | 3.4443 |
| logSw: | -3.5749 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.047 |
| InChI Key: | UADDGFHHCZETQQ-UHFFFAOYSA-N |