3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5999-5873 |
| Compound Name: | 3-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C21 H26 N4 O3 S2 |
| Smiles: | [H]N(CCO)C1=C(\C=C2/C(N(CCCCCCC)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2998 |
| logD: | 3.2997 |
| logSw: | -3.3132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.204 |
| InChI Key: | OVERZQKJDZXKMV-UHFFFAOYSA-N |