N-tert-butyl-6,7-dimethoxy-1-[(2-methylbenzamido)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-tert-butyl-6,7-dimethoxy-1-[(2-methylbenzamido)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-tert-butyl-6,7-dimethoxy-1-[(2-methylbenzamido)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V029-1687 |
| Compound Name: | N-tert-butyl-6,7-dimethoxy-1-[(2-methylbenzamido)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C25 H33 N3 O4 |
| Smiles: | Cc1ccccc1C(NCC1c2cc(c(cc2CCN1C(NC(C)(C)C)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5229 |
| logD: | 3.5229 |
| logSw: | -3.6798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.998 |
| InChI Key: | YWPTVMOAWIHEME-FQEVSTJZSA-N |