2-[4-(2-hydroxyethyl)piperazin-1-yl]-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-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2-[4-(2-hydroxyethyl)piperazin-1-yl]-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: | 4618-0456 |
| Compound Name: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]-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: | 445.56 |
| Molecular Formula: | C20 H23 N5 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(C)C(=S)S1)=O)C2=O)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 0.7184 |
| logD: | 0.6401 |
| logSw: | -1.2973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.74 |
| InChI Key: | NXTDCEYTASVWLJ-UHFFFAOYSA-N |