N-(4-chlorophenyl)-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-(4-chlorophenyl)-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V013-3581 |
| Compound Name: | N-(4-chlorophenyl)-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 530.04 |
| Molecular Formula: | C26 H28 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(NCC1c2cc(c(cc2CCN1C(Nc1ccc(cc1)[Cl])=O)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6396 |
| logD: | 4.6396 |
| logSw: | -4.7597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.925 |
| InChI Key: | GLVKQQSZZIAORM-QHCPKHFHSA-N |