2-(4-benzylpiperazin-1-yl)-7-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)-7-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)-7-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: | 4578-0337 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-7-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: | CC1C=CC2=NC(=C(/C=C3/C(N(CC=C)C(=S)S3)=O)C(N2C=1)=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5282 |
| logD: | 3.4781 |
| logSw: | -3.6103 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.545 |
| InChI Key: | OHBZRSZBCVOPQI-UHFFFAOYSA-N |