methyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate
methyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate
Compound characteristics
| Compound ID: | C481-1382 |
| Compound Name: | methyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(C(Cc1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9417 |
| logD: | 3.9368 |
| logSw: | -4.1719 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.058 |
| InChI Key: | FPLXMHYROHMNFF-IBGZPJMESA-N |