3-[(3-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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: | Y070-2561 |
| Compound Name: | 3-[(3-cyclopentyl-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: | 486.65 |
| Molecular Formula: | C24 H30 N4 O3 S2 |
| Smiles: | CC(C)OCCCNC1=C(/C=C2/C(N(C3CCCC3)C(=S)S2)=O)C(N2C=C(C)C=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1469 |
| logD: | 3.1469 |
| logSw: | -3.2178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.606 |
| InChI Key: | UTZZSKZZKFGXBJ-UHFFFAOYSA-N |