methyl 3-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate
methyl 3-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L366-0072 |
| Compound Name: | methyl 3-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)benzoate |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NS(C)(=O)=O)s2)NC(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8207 |
| logD: | 3.6889 |
| logSw: | -4.0991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.344 |
| InChI Key: | ZEZSZMNWYIBDRJ-UHFFFAOYSA-N |