N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | G530-0299 |
| Compound Name: | N-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | Cc1cc(CNS(c2cccc3c2nsn3)(=O)=O)c(C)n1c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6712 |
| logD: | 3.5632 |
| logSw: | -4.021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.158 |
| InChI Key: | SIIFDFPBBKMNJD-UHFFFAOYSA-N |