N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Compound characteristics
Compound ID: | K844-0605 |
Compound Name: | N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide |
Molecular Weight: | 441.93 |
Molecular Formula: | C22 H20 Cl N3 O3 S |
Smiles: | CC(C)CCN1C(C(=C(c2ccccc12)O)C(Nc1nc2ccc(cc2s1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.0451 |
logD: | 2.5382 |
logSw: | -4.6631 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.515 |
InChI Key: | DUNMMHSMTZUYGL-UHFFFAOYSA-N |