2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-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-{[4-oxo-3-(prop-2-en-1-yl)-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-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4476-4963 |
| Compound Name: | 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C22 H22 N6 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC=C)C(=S)S1)=O)C2=O)NCCCn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6133 |
| logD: | 1.3713 |
| logSw: | -1.9173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.098 |
| InChI Key: | MYXCEBCMHHBQMH-UHFFFAOYSA-N |