ethyl 3-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalanyl]amino}benzoate
ethyl 3-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalanyl]amino}benzoate
Compound characteristics
| Compound ID: | C597-0052 |
| Compound Name: | ethyl 3-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalanyl]amino}benzoate |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C27 H27 N3 O6 S |
| Smiles: | CCOC(c1cccc(c1)NC(C(Cc1ccccc1)NS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1586 |
| logD: | 4.1573 |
| logSw: | -4.2082 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.506 |
| InChI Key: | HVRGFNDRHJOPPJ-DEOSSOPVSA-N |