1-[(tert-butylcarbamamido)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
1-[(tert-butylcarbamamido)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
1-[(tert-butylcarbamamido)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V012-7763 |
| Compound Name: | 1-[(tert-butylcarbamamido)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C25 H34 N4 O4 |
| Smiles: | Cc1cccc(c1)NC(N1CCc2cc(c(cc2C1CNC(NC(C)(C)C)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5825 |
| logD: | 3.5825 |
| logSw: | -3.6411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.209 |
| InChI Key: | LBHYUUMLTVBXAN-FQEVSTJZSA-N |