2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}benzoic acid
2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | C679-3474 |
| Compound Name: | 2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}benzoic acid |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C18 H16 N2 O3 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3ccccc3C(O)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.9333 |
| logD: | 0.3219 |
| logSw: | -3.4634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.512 |
| InChI Key: | SBTDIEFFYNQNMC-UHFFFAOYSA-N |