2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4476-4967 |
| Compound Name: | 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C20 H20 N6 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C)C(=S)S1)=O)C2=O)NCCCn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 0.7938 |
| logD: | 0.5518 |
| logSw: | -1.6163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.885 |
| InChI Key: | XHKMCFMSYGVFFR-UHFFFAOYSA-N |