2-[(2-hydroxyethyl)amino]-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-[(2-hydroxyethyl)amino]-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(2-hydroxyethyl)amino]-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: | 4678-0039 |
| Compound Name: | 2-[(2-hydroxyethyl)amino]-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C18 H20 N4 O3 S2 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(NCCO)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6382 |
| logD: | 1.6382 |
| logSw: | -2.0329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.226 |
| InChI Key: | NFFRYLXXOZVJQE-UHFFFAOYSA-N |