6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | V025-4507 |
| Compound Name: | 6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C20 H30 N4 O3 S |
| Smiles: | CC(C)NC(NCC1c2cc(c(cc2CCN1C(NCC=C)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9222 |
| logD: | 1.9222 |
| logSw: | -2.5548 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.224 |
| InChI Key: | ORIIRWCUKOROBE-INIZCTEOSA-N |