1-{[(ethylcarbamothioyl)amino]methyl}-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
1-{[(ethylcarbamothioyl)amino]methyl}-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
1-{[(ethylcarbamothioyl)amino]methyl}-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V026-7561 |
| Compound Name: | 1-{[(ethylcarbamothioyl)amino]methyl}-6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CCNC(NCC1c2cc(c(cc2CCN1C(Nc1cccc(C)c1)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8486 |
| logD: | 2.8486 |
| logSw: | -3.335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.531 |
| InChI Key: | SFWJOQYZALUCPI-IBGZPJMESA-N |