N-butyl-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-butyl-6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-butyl-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: | C199-0122 |
| Compound Name: | N-butyl-6,7-dimethoxy-1-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C27 H32 N2 O5 S |
| Smiles: | CCCCNC(N1CCc2cc(c(cc2C1COc1ccc2C(C)=CC(=O)Oc2c1)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4877 |
| logD: | 4.4877 |
| logSw: | -4.3334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.666 |
| InChI Key: | HRJLTMUDERDEFL-QFIPXVFZSA-N |