2-({[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-({[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-({[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | D353-0222 |
| Compound Name: | 2-({[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | CCOc1ccc(cc1)c1nnc(o1)SCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4149 |
| logD: | 3.4149 |
| logSw: | -3.5919 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.324 |
| InChI Key: | AYTLBFOKDOUDPV-UHFFFAOYSA-N |