methyl 3-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-sulfonyl]amino}benzoate
methyl 3-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M022-1763 |
| Compound Name: | methyl 3-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-sulfonyl]amino}benzoate |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C19 H20 N2 O4 S3 |
| Smiles: | CC(C)(C)c1csc(c2cc(sc2)S(Nc2cccc(c2)C(=O)OC)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6434 |
| logD: | 5.6358 |
| logSw: | -5.5519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.814 |
| InChI Key: | MKTNSOKFNLVMOQ-UHFFFAOYSA-N |