2-(cyclopropyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)-1-{4-[(4-methoxyphenoxy)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-yn-1-yl)oxy]propyl}amino)-1-{4-[(4-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-(cyclopropyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)-1-{4-[(4-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V019-0463 |
| Compound Name: | 2-(cyclopropyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)-1-{4-[(4-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 484.61 |
| Molecular Formula: | C26 H32 N2 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC(COCC#C)O)C1CC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2341 |
| logD: | 3.234 |
| logSw: | -3.1995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.771 |
| InChI Key: | URYNQVQNFWNTCV-UHFFFAOYSA-N |