4-tert-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]benzamide
4-tert-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]benzamide
Compound characteristics
| Compound ID: | F866-0027 |
| Compound Name: | 4-tert-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]benzamide |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NCCS(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8264 |
| logD: | 3.8264 |
| logSw: | -3.8598 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.032 |
| InChI Key: | SISCMLMSIFSRFV-UHFFFAOYSA-N |