N-(3-chloro-4-methoxyphenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-(3-chloro-4-methoxyphenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | D048-0006 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 470.97 |
| Molecular Formula: | C24 H23 Cl N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1Cc2ccccc2CC1C(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2634 |
| logD: | 5.122 |
| logSw: | -5.7531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.804 |
| InChI Key: | HQXBTHUCWZWNKD-QFIPXVFZSA-N |