3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0131 |
| Compound Name: | 3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 527.71 |
| Molecular Formula: | C26 H33 N5 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C3CCCCC3)C(=S)S1)=O)C2=O)NCCCN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.7281 |
| logD: | 2.5556 |
| logSw: | -2.8947 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.16 |
| InChI Key: | QVVVVDNTNKRYPJ-UHFFFAOYSA-N |