2-(4-ethylpiperazin-1-yl)-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-ethylpiperazin-1-yl)-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-ethylpiperazin-1-yl)-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0297 |
| Compound Name: | 2-(4-ethylpiperazin-1-yl)-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | CCN1CCN(CC1)C1=C(/C=C2/C(N(CCCOC)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0492 |
| logD: | 1.619 |
| logSw: | -2.0788 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 56.386 |
| InChI Key: | OJLXGIJQGXOBBQ-UHFFFAOYSA-N |