2-(4-benzylpiperazin-1-yl)-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0257 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C29 H27 N5 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C1/C(N(Cc3ccco3)C(=S)S1)=O)C2=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8639 |
| logD: | 3.8138 |
| logSw: | -3.9574 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 55.546 |
| InChI Key: | GNVYWFYDTHMUJO-UHFFFAOYSA-N |