N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | G529-0620 |
| Compound Name: | N-({1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | Cc1ccc(Cn2cccc2CNS(c2ccc3c(c2)OC(N3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.33 |
| logD: | 3.2964 |
| logSw: | -3.773 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.485 |
| InChI Key: | ARRZAYHCJPFOSJ-UHFFFAOYSA-N |