N-({6,7-dimethoxy-2-[(prop-2-en-1-yl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)propanamide
Chemical Structure Depiction of
N-({6,7-dimethoxy-2-[(prop-2-en-1-yl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)propanamide
N-({6,7-dimethoxy-2-[(prop-2-en-1-yl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)propanamide
Compound characteristics
| Compound ID: | V026-8276 |
| Compound Name: | N-({6,7-dimethoxy-2-[(prop-2-en-1-yl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)propanamide |
| Molecular Weight: | 377.5 |
| Molecular Formula: | C19 H27 N3 O3 S |
| Smiles: | CCC(NCC1c2cc(c(cc2CCN1C(NCC=C)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5784 |
| logD: | 1.5784 |
| logSw: | -2.1752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.503 |
| InChI Key: | RQPXIAHMQSXNNY-HNNXBMFYSA-N |