2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-butylacetamide
Chemical Structure Depiction of
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-butylacetamide
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-butylacetamide
Compound characteristics
| Compound ID: | F714-1098 |
| Compound Name: | 2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-butylacetamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Smiles: | CCCCNC(CC1c2ccccc2CCN1S(c1cc(C)ccc1NC(C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9669 |
| logD: | 2.9668 |
| logSw: | -3.3503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.802 |
| InChI Key: | BMKSZVSDRHUDAK-QFIPXVFZSA-N |