3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1068 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(3-chlorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 540.11 |
| Molecular Formula: | C26 H26 Cl N5 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)c2cccc(c2)[Cl])SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8111 |
| logD: | 4.8111 |
| logSw: | -4.7949 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.073 |
| InChI Key: | KTKGJOCCIPRTRP-KRWDZBQOSA-N |