3-[(3-butyl-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-butyl-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-butyl-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: | 4578-0291 |
| Compound Name: | 3-[(3-butyl-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: | 471.64 |
| Molecular Formula: | C23 H29 N5 O2 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCN(CC)CC2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1185 |
| logD: | 2.6883 |
| logSw: | -2.9808 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.043 |
| InChI Key: | MFFALAJNMVCWTJ-UHFFFAOYSA-N |