ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate
ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate
Compound characteristics
| Compound ID: | C481-0794 |
| Compound Name: | ethyl 4-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]amino}benzoate |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C24 H22 N4 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(C(Cc1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4523 |
| logD: | 4.4475 |
| logSw: | -4.2456 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.638 |
| InChI Key: | MRBYWESNCYXGEW-FQEVSTJZSA-N |