2-[4-(3-chlorophenyl)piperazin-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-(3-chlorophenyl)piperazin-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-(3-chlorophenyl)piperazin-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: | 4578-0533 |
| Compound Name: | 2-[4-(3-chlorophenyl)piperazin-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: | 580.17 |
| Molecular Formula: | C29 H30 Cl N5 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C3CCCCC3)C(=S)S1)=O)C2=O)N1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5639 |
| logD: | 5.5639 |
| logSw: | -5.7643 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 46.738 |
| InChI Key: | JLEIWDBWLFUNSI-UHFFFAOYSA-N |