N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-2470 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C20 H16 N4 O7 S2 |
| Smiles: | Cc1c(COc2ccc(cc2)[N+]([O-])=O)c(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.1579 |
| logD: | 3.1541 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.681 |
| InChI Key: | QVLOOSFETRIDKY-UHFFFAOYSA-N |