6,7-dimethoxy-N-(4-methylphenyl)-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
6,7-dimethoxy-N-(4-methylphenyl)-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
6,7-dimethoxy-N-(4-methylphenyl)-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V026-2058 |
| Compound Name: | 6,7-dimethoxy-N-(4-methylphenyl)-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C24 H32 N4 O3 S |
| Smiles: | CC(C)NC(NCC1c2cc(c(cc2CCN1C(Nc1ccc(C)cc1)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5644 |
| logD: | 3.5644 |
| logSw: | -3.7881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.879 |
| InChI Key: | FNOHWFNIMYKUDW-FQEVSTJZSA-N |