3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0582 |
| Compound Name: | 3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 575.75 |
| Molecular Formula: | C30 H33 N5 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C3CCCCC3)C(=S)S1)=O)C2=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0842 |
| logD: | 5.0841 |
| logSw: | -4.757 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 54.282 |
| InChI Key: | QHGMQYFVAIKZHN-UHFFFAOYSA-N |