2-[(benzylsulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-[(benzylsulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-[(benzylsulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C679-3483 |
| Compound Name: | 2-[(benzylsulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C18 H18 N2 O S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSCc3ccccc3)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.5223 |
| logD: | 3.5223 |
| logSw: | -3.6807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.1033 |
| InChI Key: | NGEGZGLZFWDXLI-UHFFFAOYSA-N |