2-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
2-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
2-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
Compound ID: | F441-0174 |
Compound Name: | 2-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
Molecular Weight: | 456.54 |
Molecular Formula: | C21 H20 N4 O4 S2 |
Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(Nc1ccc(cc1)N1CCOCC1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2644 |
logD: | 1.0565 |
logSw: | -2.7309 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.694 |
InChI Key: | RDXXCEHDPJKFAF-UHFFFAOYSA-N |