N-[(2-chlorophenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(2-chlorophenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | D048-0242 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 454.97 |
| Molecular Formula: | C24 H23 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(N1Cc2ccccc2CC1C(NCc1ccccc1[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1354 |
| logD: | 5.135 |
| logSw: | -5.4857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.495 |
| InChI Key: | CPFFOQYVRJRFBP-QHCPKHFHSA-N |