3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-2572 |
| Compound Name: | 3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 474.64 |
| Molecular Formula: | C23 H30 N4 O3 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(NCCCOC(C)C)N=C3C=CC(C)=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3435 |
| logD: | 3.3435 |
| logSw: | -3.4565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.268 |
| InChI Key: | IBWQLKLLBZIRNH-UHFFFAOYSA-N |