N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
Compound ID: | 0670-2512 |
Compound Name: | N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-enamide |
Molecular Weight: | 401.44 |
Molecular Formula: | C22 H15 N3 O3 S |
Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(cc1)c1nc2ccccc2s1)=O |
Stereo: | ACHIRAL |
logP: | 5.6479 |
logD: | 5.6479 |
logSw: | -6.0087 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.947 |
InChI Key: | BWFLSDHMJMRVAU-UHFFFAOYSA-N |