N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methylbenzene-1-sulfonamide
N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V018-0564 |
| Compound Name: | N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(Nc1cccc(c1)N1CCCN(Cc2ccccc2C#N)C1=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7456 |
| logD: | 4.6354 |
| logSw: | -4.389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.503 |
| InChI Key: | HNAPUCUZCUAVAJ-UHFFFAOYSA-N |