3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0601 |
| Compound Name: | 3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 551.69 |
| Molecular Formula: | C27 H29 N5 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCOC)C(=S)S3)=O)C(N2C=1)=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2861 |
| logD: | 3.286 |
| logSw: | -3.4176 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.151 |
| InChI Key: | NNRHGCKKLATGHX-UHFFFAOYSA-N |