N-(2,3-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-(2,3-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
Compound ID: | L461-0378 |
Compound Name: | N-(2,3-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
Molecular Weight: | 437.56 |
Molecular Formula: | C23 H27 N5 O2 S |
Smiles: | Cc1cccc(c1C)NC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0966 |
logD: | 3.0928 |
logSw: | -3.1563 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.343 |
InChI Key: | XMODKBKGCOBMDL-UHFFFAOYSA-N |