7,7'-[(3-nitrophenyl)methylene]bis(8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one)
Chemical Structure Depiction of
7,7'-[(3-nitrophenyl)methylene]bis(8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one)
7,7'-[(3-nitrophenyl)methylene]bis(8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one)
Compound characteristics
| Compound ID: | 1317-0200 |
| Compound Name: | 7,7'-[(3-nitrophenyl)methylene]bis(8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one) |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C21 H19 N5 O6 S2 |
| Smiles: | C1CN2C(=NC(=C(C(C3=C(N=C4N(CCCS4)C3=O)O)c3cccc(c3)[N+]([O-])=O)C2=O)O)SC1 |
| Stereo: | ACHIRAL |
| logP: | 1.6807 |
| logD: | -1.5915 |
| logSw: | -2.0731 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.924 |
| InChI Key: | MAPPWCHRTRULKW-UHFFFAOYSA-N |