2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0030 |
| Compound Name: | 2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C23 H26 N6 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCCOC)C(=S)S1)=O)C2=O)NCCCn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3216 |
| logD: | 1.0796 |
| logSw: | -1.7514 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.44 |
| InChI Key: | PBJBZNRDNAXYRH-UHFFFAOYSA-N |