methyl 3-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}-5-nitrobenzoate
methyl 3-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | 4100-3649 |
| Compound Name: | methyl 3-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 435.43 |
| Molecular Formula: | C17 H13 N3 O7 S2 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6919 |
| logD: | 2.5344 |
| logSw: | -3.393 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.395 |
| InChI Key: | WSXDQAFDIHYFAY-UHFFFAOYSA-N |