3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0242 |
| Compound Name: | 3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C25 H25 N5 O2 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(Cc4ccccc4)C(=S)S3)=O)C(N2C=1)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.146 |
| logD: | 2.806 |
| logSw: | -3.133 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.231 |
| InChI Key: | BLNFZSSIYVEVCO-UHFFFAOYSA-N |