2-{[3-(1H-imidazol-1-yl)propyl]amino}-7-methyl-3-{[4-oxo-3-(2-phenylethyl)-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}-7-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[3-(1H-imidazol-1-yl)propyl]amino}-7-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0569 |
| Compound Name: | 2-{[3-(1H-imidazol-1-yl)propyl]amino}-7-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 530.67 |
| Molecular Formula: | C27 H26 N6 O2 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCc4ccccc4)C(=S)S3)=O)C(N2C=1)=O)NCCCn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8623 |
| logD: | 2.6204 |
| logSw: | -3.2429 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.325 |
| InChI Key: | JZDIHSQOIZRKSU-UHFFFAOYSA-N |