2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(3-methylbutyl)acetamide
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | F714-1068 |
| Compound Name: | 2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Smiles: | CC(C)CCNC(CC1c2ccccc2CCN1S(c1cc(C)ccc1NC(C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1808 |
| logD: | 3.1807 |
| logSw: | -3.4249 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.802 |
| InChI Key: | KVZGIVKHOYTPBQ-QHCPKHFHSA-N |