N-carbamimidoyl-4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzene-1-sulfonamide
Chemical Structure Depiction of
N-carbamimidoyl-4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzene-1-sulfonamide
N-carbamimidoyl-4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5588-0204 |
| Compound Name: | N-carbamimidoyl-4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzene-1-sulfonamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C18 H18 N6 O3 S |
| Smiles: | CC1\C(=C/Nc2ccc(cc2)S(NC(N)=N)(=O)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8675 |
| logD: | 0.8675 |
| logSw: | -2.4149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 117.762 |
| InChI Key: | GAIRZAYKUNFYEQ-UHFFFAOYSA-N |