methyl 3-({2-[(benzenesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({2-[(benzenesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate
methyl 3-({2-[(benzenesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L366-0557 |
| Compound Name: | methyl 3-({2-[(benzenesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C22 H18 N4 O5 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NS(c1ccccc1)(=O)=O)s2)NC(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.274 |
| logD: | 4.873 |
| logSw: | -5.2952 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.126 |
| InChI Key: | SBPOBISYGRHXHL-UHFFFAOYSA-N |