N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-4690 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C(Nc2ccc(cc2)c2nc3ccc(C)cc3s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.6677 |
| logD: | 6.6677 |
| logSw: | -5.5401 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.015 |
| InChI Key: | PZOQXBPCRHQPTB-UHFFFAOYSA-N |