N-tert-butyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-tert-butyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-tert-butyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V028-0246 |
| Compound Name: | N-tert-butyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C25 H34 N4 O4 |
| Smiles: | Cc1ccc(cc1)NC(NCC1c2cc(c(cc2CCN1C(NC(C)(C)C)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9233 |
| logD: | 3.9233 |
| logSw: | -4.0081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.209 |
| InChI Key: | SNEMHZQKFLZAAA-FQEVSTJZSA-N |