N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | G530-0073 |
| Compound Name: | N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | Cc1cc(CNS(c2ccc3c(c2)OC(N3C)=O)(=O)=O)c(C)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7145 |
| logD: | 3.7117 |
| logSw: | -4.3796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.527 |
| InChI Key: | ZHZFDWPWIVMAKJ-UHFFFAOYSA-N |