N-(N-{[(4,6-dimethylpyrimidin-2-yl)amino](3-methylanilino)methylidene}carbamimidoyl)benzamide
Chemical Structure Depiction of
N-(N-{[(4,6-dimethylpyrimidin-2-yl)amino](3-methylanilino)methylidene}carbamimidoyl)benzamide
N-(N-{[(4,6-dimethylpyrimidin-2-yl)amino](3-methylanilino)methylidene}carbamimidoyl)benzamide
Compound characteristics
Compound ID: | Y021-1647 |
Compound Name: | N-(N-{[(4,6-dimethylpyrimidin-2-yl)amino](3-methylanilino)methylidene}carbamimidoyl)benzamide |
Molecular Weight: | 401.47 |
Molecular Formula: | C22 H23 N7 O |
Smiles: | Cc1cccc(c1)N/C(Nc1nc(C)cc(C)n1)=N/C(=N)NC(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.1353 |
logD: | -1.1378 |
logSw: | -3.3337 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 87.542 |
InChI Key: | PRKJTXMEVOGAQO-UHFFFAOYSA-N |