N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,1,3-benzothiadiazole-4-sulfonamide
N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | G529-0299 |
| Compound Name: | N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C19 H18 N4 O2 S2 |
| Smiles: | Cc1cccc(Cn2cccc2CNS(c2cccc3c2nsn3)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1214 |
| logD: | 4.068 |
| logSw: | -4.2722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.02 |
| InChI Key: | KMNWYYMIHIOASV-UHFFFAOYSA-N |