2-(benzylamino)-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(benzylamino)-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-(benzylamino)-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0226 |
| Compound Name: | 2-(benzylamino)-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C27 H22 N4 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(Cc3ccccc3)C(=S)S1)=O)C2=O)NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2509 |
| logD: | 4.2425 |
| logSw: | -4.3374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.206 |
| InChI Key: | QBZIDLOHNUHXJM-UHFFFAOYSA-N |