3-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5999-5300 |
| Compound Name: | 3-[(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 486.7 |
| Molecular Formula: | C25 H34 N4 O2 S2 |
| Smiles: | [H]N(CCCCC)C1=C(\C=C2/C(N(CCCCCCCC)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2497 |
| logD: | 6.2496 |
| logSw: | -5.2891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.548 |
| InChI Key: | GDTBHXSZIPJVCQ-UHFFFAOYSA-N |