N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | G529-0397 |
| Compound Name: | N-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | Cc1ccc(C)c(Cn2cccc2CNS(c2ccc3c(c2)OC(N3C)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1163 |
| logD: | 4.115 |
| logSw: | -4.2743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.933 |
| InChI Key: | XTOFIVFNNNSLJT-UHFFFAOYSA-N |