N-(2-cyanopropan-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-(2-cyanopropan-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-(2-cyanopropan-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3347-0087 |
| Compound Name: | N-(2-cyanopropan-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CC(C)(C#N)NC(C1Cc2ccccc2CN1S(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9269 |
| logD: | 2.9269 |
| logSw: | -3.4202 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.658 |
| InChI Key: | YZEAKALNDYLLTA-IBGZPJMESA-N |