2-(4-ethylpiperazin-1-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-ethylpiperazin-1-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-ethylpiperazin-1-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0497 |
| Compound Name: | 2-(4-ethylpiperazin-1-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 471.64 |
| Molecular Formula: | C23 H29 N5 O2 S2 |
| Smiles: | CCN1CCN(CC1)C1=C(/C=C2/C(N(CC(C)C)C(=S)S2)=O)C(N2C=C(C)C=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1301 |
| logD: | 2.6998 |
| logSw: | -3.0761 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.563 |
| InChI Key: | DASAVZNDDQRGGK-UHFFFAOYSA-N |