7-methyl-2-(4-methylpiperazin-1-yl)-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
7-methyl-2-(4-methylpiperazin-1-yl)-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
7-methyl-2-(4-methylpiperazin-1-yl)-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: | 4578-0241 |
| Compound Name: | 7-methyl-2-(4-methylpiperazin-1-yl)-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: | 441.57 |
| Molecular Formula: | C21 H23 N5 O2 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CC=C)C(=S)S3)=O)C(N2C=1)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0299 |
| logD: | 1.6899 |
| logSw: | -2.1162 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.481 |
| InChI Key: | RNAKHKDGHLTHOA-UHFFFAOYSA-N |