N-ethyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-ethyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-ethyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | V014-1748 |
| Compound Name: | N-ethyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C22 H29 N3 O4 S2 |
| Smiles: | CCNC(N1CCc2cc(c(cc2C1CNS(c1ccc(C)cc1)(=O)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2436 |
| logD: | 3.2436 |
| logSw: | -3.546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.574 |
| InChI Key: | FQDMMOLOUUPJEI-IBGZPJMESA-N |