N-butyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-butyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-butyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0003 |
| Compound Name: | N-butyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 444.59 |
| Molecular Formula: | C24 H32 N2 O4 S |
| Smiles: | CCCCNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6051 |
| logD: | 4.6051 |
| logSw: | -4.2515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.803 |
| InChI Key: | XLFVDLSDVXNDOA-NRFANRHFSA-N |