2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)-1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)-1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)-1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V016-5146 |
| Compound Name: | 2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)-1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 484.66 |
| Molecular Formula: | C27 H36 N2 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)OCC1c2ccsc2CCN1C(CN(CC(COCC=C)O)C1CC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7439 |
| logD: | 4.7436 |
| logSw: | -4.5139 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.314 |
| InChI Key: | FZDIYBPBDDXOPU-UHFFFAOYSA-N |