N-benzyl-6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-benzyl-6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-benzyl-6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C199-0047 |
| Compound Name: | N-benzyl-6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C30 H30 N2 O5 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(NCc1ccccc1)=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4267 |
| logD: | 4.4267 |
| logSw: | -4.3785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.553 |
| InChI Key: | CJEGOSOZRJNCBB-VWLOTQADSA-N |