4-methyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
4-methyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G072-1571 |
| Compound Name: | 4-methyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C24 H23 N3 O3 S3 |
| Smiles: | Cc1ccc(cc1)S(Nc1ccccc1SCC1=CC(N2C3CCCCC=3SC2=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4107 |
| logD: | 4.3789 |
| logSw: | -4.2422 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.055 |
| InChI Key: | NZXREUSXARFHEU-UHFFFAOYSA-N |