ethyl 4-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alanyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alanyl]amino}benzoate
ethyl 4-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alanyl]amino}benzoate
Compound characteristics
Compound ID: | C464-3088 |
Compound Name: | ethyl 4-{[N-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)-beta-alanyl]amino}benzoate |
Molecular Weight: | 445.49 |
Molecular Formula: | C21 H23 N3 O6 S |
Smiles: | CCOC(c1ccc(cc1)NC(CCNS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2742 |
logD: | 2.2729 |
logSw: | -2.9965 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 110.562 |
InChI Key: | ZYHBAQJOWJDPFN-UHFFFAOYSA-N |