3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethylpiperazin-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-ethylpiperazin-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-ethylpiperazin-1-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0295 |
| Compound Name: | 3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethylpiperazin-1-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C25 H31 N5 O2 S2 |
| Smiles: | CCN1CCN(CC1)C1=C(/C=C2/C(N(C3CCCCC3)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5078 |
| logD: | 3.0776 |
| logSw: | -3.6252 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.015 |
| InChI Key: | ZBBZIZNJQCXFOM-UHFFFAOYSA-N |