2-(4-benzylpiperazin-1-yl)-3-[(3-cyclohexyl-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-cyclohexyl-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-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0259 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C30 H33 N5 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C1/C(N(C3CCCCC3)C(=S)S1)=O)C2=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6613 |
| logD: | 4.6112 |
| logSw: | -4.2827 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.019 |
| InChI Key: | UELUGESVNPRRPC-UHFFFAOYSA-N |