methyl 3-{[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonyl]amino}benzoate
methyl 3-{[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M952-1150 |
| Compound Name: | methyl 3-{[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonyl]amino}benzoate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C18 H20 N4 O5 S |
| Smiles: | Cc1c(c(c(C)n1C)S(Nc1cccc(c1)C(=O)OC)(=O)=O)c1nnc(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.8367 |
| logD: | 1.7988 |
| logSw: | -2.6311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.585 |
| InChI Key: | BKGUJRPCUBCZLG-UHFFFAOYSA-N |