methyl 4-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
methyl 4-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D256-1073 |
| Compound Name: | methyl 4-{[1-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroquinoline-6-carbonyl]amino}benzoate |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C25 H24 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCCc2cc(ccc12)C(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4377 |
| logD: | 4.4201 |
| logSw: | -4.2701 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.656 |
| InChI Key: | SPGWFROYTUFCKJ-UHFFFAOYSA-N |