Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2-methoxy-5-nitrophenyl)phenylalaninamide
Chemical Structure Depiction of
Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2-methoxy-5-nitrophenyl)phenylalaninamide
Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2-methoxy-5-nitrophenyl)phenylalaninamide
Compound characteristics
Compound ID: | C481-1102 |
Compound Name: | Nalpha-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2-methoxy-5-nitrophenyl)phenylalaninamide |
Molecular Weight: | 513.55 |
Molecular Formula: | C22 H19 N5 O6 S2 |
Smiles: | COc1ccc(cc1NC(C(Cc1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.741 |
logD: | 3.2623 |
logSw: | -4.0972 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 126.199 |
InChI Key: | WKLCIWPKZDCOQF-SFHVURJKSA-N |