3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0074 |
| Compound Name: | 3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | CN1CCN(CC1)C1=C(/C=C2/C(N(CCCOC)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4341 |
| logD: | 1.094 |
| logSw: | -1.8528 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 57.305 |
| InChI Key: | YGOOFNSBVWGKTP-UHFFFAOYSA-N |